1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate

C128H117Cl7FN23O23S6 — CID 158566351

About 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate

1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate (PubChem CID 158566351) has the molecular formula C128H117Cl7FN23O23S6 and a molecular weight of 2805.05 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate
• PubChem CID: 158566351
• Molecular Formula: C128H117Cl7FN23O23S6
• Molecular Weight: 2805.05 g/mol
• Exact Mass: 2799.48
• IUPAC Name: 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate
• SMILES: CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Cc2cccc(Cl)c2)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1
• InChI: InChI=1S/C27H26ClN5O5S.C26H23Cl2N5O5S.C26H24Cl2N4O4S.C25H23FN4O4S.C24H21Cl2N5O5S2/c1-38-27(35)30-22-10-12-23(13-11-22)33-15-14-29-25(33)24(17-19-6-3-2-4-7-19)31-26(34)32-39(36,37)18-20-8-5-9-21(28)16-20;1-38-26(35)30-18-10-12-19(13-11-18)33-15-14-29-24(33)21(16-17-6-3-2-4-7-17)31-25(34)32-39(36,37)22-9-5-8-20(27)23(22)28;1-2-36-20-13-11-19(12-14-20)32-16-15-29-25(32)22(17-18-7-4-3-5-8-18)30-26(33)31-37(34,35)23-10-6-9-21(27)24(23)28;1-34-20-13-11-19(12-14-20)30-16-15-27-24(30)22(17-18-7-3-2-4-8-18)28-25(31)29-35(32,33)23-10-6-5-9-21(23)26;1-36-24(33)28-16-7-9-17(10-8-16)31-12-11-27-22(31)18(13-15-5-3-2-4-6-15)29-23(32)30-38(34,35)19-14-20(25)37-21(19)26/h2-16,24H,17-18H2,1H3,(H,30,35)(H2,31,32,34);2-15,21H,16H2,1H3,(H,30,35)(H2,31,32,34);3-16,22H,2,17H2,1H3,(H2,30,31,33);2-16,22H,17H2,1H3,(H2,28,29,31);2-12,14,18H,13H2,1H3,(H,28,33)(H2,29,30,32)/t24-;21-;2*22-;18-/m00000/s1
• InChIKey: HRNHIUSWINGKOH-FKUDDJLDSA-N
• XLogP: 25.08
• TPSA: 598.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2805.05
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate (CID 158566351) is 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate.

What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate is CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)Cc2cccc(Cl)c2)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.COC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.COc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1.

What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

The InChIKey is HRNHIUSWINGKOH-FKUDDJLDSA-N. The full InChI is InChI=1S/C27H26ClN5O5S.C26H23Cl2N5O5S.C26H24Cl2N4O4S.C25H23FN4O4S.C24H21Cl2N5O5S2/c1-38-27(35)30-22-10-12-23(13-11-22)33-15-14-29-25(33)24(17-19-6-3-2-4-7-19)31-26(34)32-39(36,37)18-20-8-5-9-21(28)16-20;1-38-26(35)30-18-10-12-19(13-11-18)33-15-14-29-24(33)21(16-17-6-3-2-4-7-17)31-25(34)32-39(36,37)22-9-5-8-20(27)23(22)28;1-2-36-20-13-11-19(12-14-20)32-16-15-29-25(32)22(17-18-7-4-3-5-8-18)30-26(33)31-37(34,35)23-10-6-9-21(27)24(23)28;1-34-20-13-11-19(12-14-20)30-16-15-27-24(30)22(17-18-7-3-2-4-8-18)28-25(31)29-35(32,33)23-10-6-5-9-21(23)26;1-36-24(33)28-16-7-9-17(10-8-16)31-12-11-27-22(31)18(13-15-5-3-2-4-6-15)29-23(32)30-38(34,35)19-14-20(25)37-21(19)26/h2-16,24H,17-18H2,1H3,(H,30,35)(H2,31,32,34);2-15,21H,16H2,1H3,(H,30,35)(H2,31,32,34);3-16,22H,2,17H2,1H3,(H2,30,31,33);2-16,22H,17H2,1H3,(H2,28,29,31);2-12,14,18H,13H2,1H3,(H,28,33)(H2,29,30,32)/t24-;21-;2*22-;18-/m00000/s1.

What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate?

1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate has a molecular weight of 2805.05 g/mol, XLogP of 25.08, 42 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dichlorophenyl)sulfonyl-3-[(1S)-1-[1-(4-ethoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;methyl N-[4-[2-[(1S)-1-[(3-chlorophenyl)methylsulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,3-dichlorophenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;methyl N-[4-[2-[(1S)-1-[(2,5-dichlorothiophen-3-yl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate is sourced from PubChem (CID 158566351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).