4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

C93H98Cl2FN17O14S7 — CID 160539068

IUPAC4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCC(OCc1ccccc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)N1CCCc2ccccc21.O=C1[C@@H](n2ccc3c(Cl)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H22ClFN4O4S2.C24H27N5O4S.C23H24N4O3S2.C21H17ClN4O3S2.4H2/c1-15-21(23(29-35-15)22-19(26)3-2-4-20(22)27)24(32)31-12-9-17(10-13-31)16-5-7-18(8-6-16)37(33,34)30-25-28-11-14-36-25;1-19(33-17-20-5-3-2-4-6-20)24(30)29-15-13-28(14-16-29)21-7-9-22(10-8-21)34(31,32)27-23-11-12-25-18-26-23;28-22(27-13-3-5-17-4-1-2-6-21(17)27)18-11-14-26(16-18)19-7-9-20(10-8-19)32(29,30)25-23-24-12-15-31-23;22-17-2-1-3-18-16(17)8-11-26(18)19-9-12-25(20(19)27)14-4-6-15(7-5-14)31(28,29)24-21-23-10-13-30-21;;;;/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,28,30);2-12,18-19H,13-17H2,1H3,(H,25,26,27);1-2,4,6-10,12,15,18H,3,5,11,13-14,16H2,(H,24,25);1-8,10-11,13,19H,9,12H2,(H,23,24);4*1H/t;;;19-;;;;/m...0..../s1
InChIKeyQWNPLLWFPHRISO-MEMXJGRLSA-N
MW1992.28 g/mol
LogP17.51
Rot. Bonds24

About 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 160539068) has the molecular formula C93H98Cl2FN17O14S7 and a molecular weight of 1992.28 g/mol. Its IUPAC name is 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID160539068
Molecular FormulaC93H98Cl2FN17O14S7
Molecular Weight1992.28 g/mol
Exact Mass1989.49
IUPAC Name4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESCC(OCc1ccccc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)N1CCCc2ccccc21.O=C1[C@@H](n2ccc3c(Cl)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H22ClFN4O4S2.C24H27N5O4S.C23H24N4O3S2.C21H17ClN4O3S2.4H2/c1-15-21(23(29-35-15)22-19(26)3-2-4-20(22)27)24(32)31-12-9-17(10-13-31)16-5-7-18(8-6-16)37(33,34)30-25-28-11-14-36-25;1-19(33-17-20-5-3-2-4-6-20)24(30)29-15-13-28(14-16-29)21-7-9-22(10-8-21)34(31,32)27-23-11-12-25-18-26-23;28-22(27-13-3-5-17-4-1-2-6-21(17)27)18-11-14-26(16-18)19-7-9-20(10-8-19)32(29,30)25-23-24-12-15-31-23;22-17-2-1-3-18-16(17)8-11-26(18)19-9-12-25(20(19)27)14-4-6-15(7-5-14)31(28,29)24-21-23-10-13-30-21;;;;/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,28,30);2-12,18-19H,13-17H2,1H3,(H,25,26,27);1-2,4,6-10,12,15,18H,3,5,11,13-14,16H2,(H,24,25);1-8,10-11,13,19H,9,12H2,(H,23,24);4*1H/t;;;19-;;;;/m...0..../s1
InChIKeyQWNPLLWFPHRISO-MEMXJGRLSA-N
XLogP17.51
TPSA377.04 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001992.28
LogP ≤ 517.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 160539068) is 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is CC(OCc1ccccc1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.O=C(C1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)N1CCCc2ccccc21.O=C1[C@@H](n2ccc3c(Cl)cccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is QWNPLLWFPHRISO-MEMXJGRLSA-N. The full InChI is InChI=1S/C25H22ClFN4O4S2.C24H27N5O4S.C23H24N4O3S2.C21H17ClN4O3S2.4H2/c1-15-21(23(29-35-15)22-19(26)3-2-4-20(22)27)24(32)31-12-9-17(10-13-31)16-5-7-18(8-6-16)37(33,34)30-25-28-11-14-36-25;1-19(33-17-20-5-3-2-4-6-20)24(30)29-15-13-28(14-16-29)21-7-9-22(10-8-21)34(31,32)27-23-11-12-25-18-26-23;28-22(27-13-3-5-17-4-1-2-6-21(17)27)18-11-14-26(16-18)19-7-9-20(10-8-19)32(29,30)25-23-24-12-15-31-23;22-17-2-1-3-18-16(17)8-11-26(18)19-9-12-25(20(19)27)14-4-6-15(7-5-14)31(28,29)24-21-23-10-13-30-21;;;;/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,28,30);2-12,18-19H,13-17H2,1H3,(H,25,26,27);1-2,4,6-10,12,15,18H,3,5,11,13-14,16H2,(H,24,25);1-8,10-11,13,19H,9,12H2,(H,23,24);4*1H/t;;;19-;;;;/m...0..../s1.
What are the key properties of 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 1992.28 g/mol, XLogP of 17.51, 24 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-(4-chloroindol-1-yl)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[4-(2-phenylmethoxypropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 160539068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).