2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide

C19H23N3O3S — CID 75294143

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-8-10-16(11-9-14)26(24,25)22-18-7-3-2-6-17(18)19(23)21-13-15-5-4-12-20-15/h2-3,6-11,15,20,22H,4-5,12-13H2,1H3,(H,21,23)
InChIKeyMTXCXEGDKQJEFE-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.28
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide

2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 75294143) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID75294143
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCN2)cc1
InChIInChI=1S/C19H23N3O3S/c1-14-8-10-16(11-9-14)26(24,25)22-18-7-3-2-6-17(18)19(23)21-13-15-5-4-12-20-15/h2-3,6-11,15,20,22H,4-5,12-13H2,1H3,(H,21,23)
InChIKeyMTXCXEGDKQJEFE-UHFFFAOYSA-N
XLogP2.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536326
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 7349405
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 11899053
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 75294143) is 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC2CCCN2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is MTXCXEGDKQJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-8-10-16(11-9-14)26(24,25)22-18-7-3-2-6-17(18)19(23)21-13-15-5-4-12-20-15/h2-3,6-11,15,20,22H,4-5,12-13H2,1H3,(H,21,23).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide?
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 75294143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).