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

C11H13ClN2O3S — CID 51108059

IUPAC3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C11H13ClN2O3S/c1-14-7-9(6-11(14)15)13-18(16,17)10-4-2-3-8(12)5-10/h2-5,9,13H,6-7H2,1H3
InChIKeyHTYLOSLTGKJDCY-UHFFFAOYSA-N
MW288.76 g/mol
LogP0.85
Rot. Bonds3

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

3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 51108059) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID51108059
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2cccc(Cl)c2)CC1=O
InChIInChI=1S/C11H13ClN2O3S/c1-14-7-9(6-11(14)15)13-18(16,17)10-4-2-3-8(12)5-10/h2-5,9,13H,6-7H2,1H3
InChIKeyHTYLOSLTGKJDCY-UHFFFAOYSA-N
XLogP0.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 852354
CID 852354
CID 4788586
CID 4788586
CID 4963713
CID 4963713
CID 17751422
CID 17751422
CID 57398239
CID 57398239
CID 4572889
CID 4572889
CID 2238981
CID 2238981
CID 2361133
CID 2361133
CID 3154058
CID 3154058
CID 4787827
CID 4787827
CID 16291440
CID 16291440
CID 3154065
CID 3154065

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 51108059) is 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is CN1CC(NS(=O)(=O)c2cccc(Cl)c2)CC1=O.
What is the InChIKey of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is HTYLOSLTGKJDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-14-7-9(6-11(14)15)13-18(16,17)10-4-2-3-8(12)5-10/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 288.76 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 51108059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).