3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide

C19H21ClN2O4S — CID 16829934

IUPAC3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-7-9-18(10-8-17)27(24,25)22-11-3-6-16(22)13-21-19(23)14-4-2-5-15(20)12-14/h2,4-5,7-10,12,16H,3,6,11,13H2,1H3,(H,21,23)
InChIKeySECPXUBTWXKCDB-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.93
Rot. Bonds6

About 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide

3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 16829934) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
PubChem CID16829934
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-7-9-18(10-8-17)27(24,25)22-11-3-6-16(22)13-21-19(23)14-4-2-5-15(20)12-14/h2,4-5,7-10,12,16H,3,6,11,13H2,1H3,(H,21,23)
InChIKeySECPXUBTWXKCDB-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16829927
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222672
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286315
1-(3-chlorophenyl)-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]urea
CID 7286181
N'-(3,5-dimethylphenyl)-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829914
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
CID 18574803
N'-(3-chlorophenyl)-N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 18574816
N-[2-(diethylamino)ethyl]-N'-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16812794
N-[[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]pyridine-4-carboxamide
CID 71172557
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide (CID 16829934) is 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide is COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is SECPXUBTWXKCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-17-7-9-18(10-8-17)27(24,25)22-11-3-6-16(22)13-21-19(23)14-4-2-5-15(20)12-14/h2,4-5,7-10,12,16H,3,6,11,13H2,1H3,(H,21,23).
What are the key properties of 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide?
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 408.91 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 16829934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).