3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C10H12ClN3O3S — CID 106181167

IUPAC3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CNC(=O)C2)ccc1Cl
InChIInChI=1S/C10H12ClN3O3S/c11-8-2-1-7(4-9(8)12)18(16,17)14-6-3-10(15)13-5-6/h1-2,4,6,14H,3,5,12H2,(H,13,15)
InChIKeyKYEAOWYCGRTDBK-UHFFFAOYSA-N
MW289.74 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 106181167) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID106181167
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CNC(=O)C2)ccc1Cl
InChIInChI=1S/C10H12ClN3O3S/c11-8-2-1-7(4-9(8)12)18(16,17)14-6-3-10(15)13-5-6/h1-2,4,6,14H,3,5,12H2,(H,13,15)
InChIKeyKYEAOWYCGRTDBK-UHFFFAOYSA-N
XLogP0.09
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
3-amino-4-nitro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106197698
2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154874
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
3-amino-4-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79351598
6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180960
4-chloro-2-methyl-5-nitro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696881
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106197583
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 106181167) is 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CNC(=O)C2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is KYEAOWYCGRTDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c11-8-2-1-7(4-9(8)12)18(16,17)14-6-3-10(15)13-5-6/h1-2,4,6,14H,3,5,12H2,(H,13,15).
What are the key properties of 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 289.74 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106181167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).