5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide

C12H16ClN3O3S — CID 106250330

IUPAC5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NC1CCN(C)C1=O
InChIInChI=1S/C12H16ClN3O3S/c1-7-5-8(13)9(14)6-11(7)20(18,19)15-10-3-4-16(2)12(10)17/h5-6,10,15H,3-4,14H2,1-2H3
InChIKeyZKSGOCWOWKZKBG-UHFFFAOYSA-N
MW317.80 g/mol
LogP0.74
Rot. Bonds3

About 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide

5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 106250330) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID106250330
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NC1CCN(C)C1=O
InChIInChI=1S/C12H16ClN3O3S/c1-7-5-8(13)9(14)6-11(7)20(18,19)15-10-3-4-16(2)12(10)17/h5-6,10,15H,3-4,14H2,1-2H3
InChIKeyZKSGOCWOWKZKBG-UHFFFAOYSA-N
XLogP0.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243
3-amino-4-fluoro-5-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250389
3-amino-5-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250336
1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
5-amino-4-chloro-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83013462
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
2-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106256330
(3S,4R)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213252
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
4-amino-5-chloro-2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 119782044
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide (CID 106250330) is 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide is Cc1cc(Cl)c(N)cc1S(=O)(=O)NC1CCN(C)C1=O.
What is the InChIKey of 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ZKSGOCWOWKZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-7-5-8(13)9(14)6-11(7)20(18,19)15-10-3-4-16(2)12(10)17/h5-6,10,15H,3-4,14H2,1-2H3.
What are the key properties of 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 317.80 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106250330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).