N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide

C21H26ClN3O3S — CID 26795013

IUPACN-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-24(2)29(27,28)17-11-9-16(10-12-17)21(26)23-15-20(25-13-5-6-14-25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,5-6,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyVWMNGSRYPOXSHA-HXUWFJFHSA-N
MW435.98 g/mol
LogP3.16
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide

N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 26795013) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID26795013
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-24(2)29(27,28)17-11-9-16(10-12-17)21(26)23-15-20(25-13-5-6-14-25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,5-6,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyVWMNGSRYPOXSHA-HXUWFJFHSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide 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

N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
4-(dimethylsulfamoyl)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 7719507
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41111350
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24658958
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 45351971
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide (CID 26795013) is N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is VWMNGSRYPOXSHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-24(2)29(27,28)17-11-9-16(10-12-17)21(26)23-15-20(25-13-5-6-14-25)18-7-3-4-8-19(18)22/h3-4,7-12,20H,5-6,13-15H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide?
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 435.98 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26795013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).