4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide

C19H21ClN2O3S — CID 7286218

IUPAC4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-4-10-18(11-5-14)26(24,25)22-12-2-3-17(22)13-21-19(23)15-6-8-16(20)9-7-15/h4-11,17H,2-3,12-13H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyAJTBXDQDAXHQBZ-QGZVFWFLSA-N
MW392.91 g/mol
LogP3.23
Rot. Bonds5

About 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide

4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 7286218) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
PubChem CID7286218
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-4-10-18(11-5-14)26(24,25)22-12-2-3-17(22)13-21-19(23)15-6-8-16(20)9-7-15/h4-11,17H,2-3,12-13H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyAJTBXDQDAXHQBZ-QGZVFWFLSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
CID 71172557
1-(4-methylphenyl)-3-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286214
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
N-(2-hydroxyethyl)-N'-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286174
1-(3-chlorophenyl)-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286181
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
CID 18574803
ethyl 2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286192
N'-cyclopentyl-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286154
N'-(3-chlorophenyl)-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 18574816
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide (CID 7286218) is 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is AJTBXDQDAXHQBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-4-10-18(11-5-14)26(24,25)22-12-2-3-17(22)13-21-19(23)15-6-8-16(20)9-7-15/h4-11,17H,2-3,12-13H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 392.91 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 7286218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).