3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

C14H17ClN2O3S — CID 110719965

IUPAC3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cccc(Cl)c2)CN1C1CC1
InChIInChI=1S/C14H17ClN2O3S/c15-11-2-1-3-13(7-11)21(19,20)16-8-10-6-14(18)17(9-10)12-4-5-12/h1-3,7,10,12,16H,4-6,8-9H2
InChIKeyHFGKSOJCKVEVFL-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.63
Rot. Bonds5

About 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 110719965) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID110719965
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESO=C1CC(CNS(=O)(=O)c2cccc(Cl)c2)CN1C1CC1
InChIInChI=1S/C14H17ClN2O3S/c15-11-2-1-3-13(7-11)21(19,20)16-8-10-6-14(18)17(9-10)12-4-5-12/h1-3,7,10,12,16H,4-6,8-9H2
InChIKeyHFGKSOJCKVEVFL-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-chloro-N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912077
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 131935678
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
4-chloro-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911707
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 124615117
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 124615118

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (CID 110719965) is 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is O=C1CC(CNS(=O)(=O)c2cccc(Cl)c2)CN1C1CC1.
What is the InChIKey of 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is HFGKSOJCKVEVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-11-2-1-3-13(7-11)21(19,20)16-8-10-6-14(18)17(9-10)12-4-5-12/h1-3,7,10,12,16H,4-6,8-9H2.
What are the key properties of 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 328.82 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110719965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).