2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C26H28ClN3O3S — CID 25407688

IUPAC2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2)c1
InChIInChI=1S/C26H28ClN3O3S/c1-19-8-7-11-21(16-19)29-34(32,33)22-12-13-24(27)23(17-22)26(31)28-18-25(30-14-5-6-15-30)20-9-3-2-4-10-20/h2-4,7-13,16-17,25,29H,5-6,14-15,18H2,1H3,(H,28,31)/t25-/m0/s1
InChIKeyWTQLKSCMTAVJPW-VWLOTQADSA-N
MW498.05 g/mol
LogP5.02
Rot. Bonds8

About 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 25407688) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID25407688
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2)c1
InChIInChI=1S/C26H28ClN3O3S/c1-19-8-7-11-21(16-19)29-34(32,33)22-12-13-24(27)23(17-22)26(31)28-18-25(30-14-5-6-15-30)20-9-3-2-4-10-20/h2-4,7-13,16-17,25,29H,5-6,14-15,18H2,1H3,(H,28,31)/t25-/m0/s1
InChIKeyWTQLKSCMTAVJPW-VWLOTQADSA-N
XLogP5.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.05
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide with MolForge

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 43019329
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 24676658
2-chloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 86945375
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 25407688) is 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is WTQLKSCMTAVJPW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-19-8-7-11-21(16-19)29-34(32,33)22-12-13-24(27)23(17-22)26(31)28-18-25(30-14-5-6-15-30)20-9-3-2-4-10-20/h2-4,7-13,16-17,25,29H,5-6,14-15,18H2,1H3,(H,28,31)/t25-/m0/s1.
What are the key properties of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 498.05 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 25407688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).