2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide

C41H52Cl2FN9O6S2 — CID 162073929

IUPAC2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CC3CC3)CCN(S(=O)(=O)c3cn[nH]n3)CC2)c(Cl)c1.Cn1cnc(S(=O)(=O)N2CCC(CNC(=O)c3c(F)cccc3Cl)(CC3CC3)CC2)c1
InChIInChI=1S/C21H26ClFN4O3S.C20H26ClN5O3S/c1-26-12-18(25-14-26)31(29,30)27-9-7-21(8-10-27,11-15-5-6-15)13-24-20(28)19-16(22)3-2-4-17(19)23;1-14-2-5-16(17(21)10-14)19(27)22-13-20(11-15-3-4-15)6-8-26(9-7-20)30(28,29)18-12-23-25-24-18/h2-4,12,14-15H,5-11,13H2,1H3,(H,24,28);2,5,10,12,15H,3-4,6-9,11,13H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyZBLOHTWAQPKXQY-UHFFFAOYSA-N
MW920.96 g/mol
LogP5.98
Rot. Bonds14

About 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide

2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide (PubChem CID 162073929) has the molecular formula C41H52Cl2FN9O6S2 and a molecular weight of 920.96 g/mol. Its IUPAC name is 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide
PubChem CID162073929
Molecular FormulaC41H52Cl2FN9O6S2
Molecular Weight920.96 g/mol
Exact Mass919.28
IUPAC Name2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CC3CC3)CCN(S(=O)(=O)c3cn[nH]n3)CC2)c(Cl)c1.Cn1cnc(S(=O)(=O)N2CCC(CNC(=O)c3c(F)cccc3Cl)(CC3CC3)CC2)c1
InChIInChI=1S/C21H26ClFN4O3S.C20H26ClN5O3S/c1-26-12-18(25-14-26)31(29,30)27-9-7-21(8-10-27,11-15-5-6-15)13-24-20(28)19-16(22)3-2-4-17(19)23;1-14-2-5-16(17(21)10-14)19(27)22-13-20(11-15-3-4-15)6-8-26(9-7-20)30(28,29)18-12-23-25-24-18/h2-4,12,14-15H,5-11,13H2,1H3,(H,24,28);2,5,10,12,15H,3-4,6-9,11,13H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyZBLOHTWAQPKXQY-UHFFFAOYSA-N
XLogP5.98
TPSA192.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.96
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[(1R,5S)-6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 76325094
2,6-dichloro-N-[[(1S,5R)-6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 76332349
2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide
CID 59164255
2-chloro-N-[[(3S,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 159032550
2-chloro-N-[[6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 46831197
3-chloro-N-[[6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 59529956
2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 91565953
2-chloro-N-[[6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide;4-chloro-N-[[6-(cyclopropylmethyl)-3-(1-methylimidazol-4-yl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 144024443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide (CID 162073929) is 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CC3CC3)CCN(S(=O)(=O)c3cn[nH]n3)CC2)c(Cl)c1.Cn1cnc(S(=O)(=O)N2CCC(CNC(=O)c3c(F)cccc3Cl)(CC3CC3)CC2)c1.
What is the InChIKey of 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide?
The InChIKey is ZBLOHTWAQPKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClFN4O3S.C20H26ClN5O3S/c1-26-12-18(25-14-26)31(29,30)27-9-7-21(8-10-27,11-15-5-6-15)13-24-20(28)19-16(22)3-2-4-17(19)23;1-14-2-5-16(17(21)10-14)19(27)22-13-20(11-15-3-4-15)6-8-26(9-7-20)30(28,29)18-12-23-25-24-18/h2-4,12,14-15H,5-11,13H2,1H3,(H,24,28);2,5,10,12,15H,3-4,6-9,11,13H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide?
2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide has a molecular weight of 920.96 g/mol, XLogP of 5.98, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 162073929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).