2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C13H15ClN2O2S2 — CID 61115034

IUPAC2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H15ClN2O2S2/c1-9-5-6-19-12(9)8-16(2)20(17,18)13-4-3-10(14)7-11(13)15/h3-7H,8,15H2,1-2H3
InChIKeyWVQTYDGWQRTSIM-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 61115034) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID61115034
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H15ClN2O2S2/c1-9-5-6-19-12(9)8-16(2)20(17,18)13-4-3-10(14)7-11(13)15/h3-7H,8,15H2,1-2H3
InChIKeyWVQTYDGWQRTSIM-UHFFFAOYSA-N
XLogP3.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
4-chloro-1-N-methyl-1-N-[(3-methylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 115125246
2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 134002504
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
2-amino-3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62058434
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
N,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 51249162
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
2-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139388

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 61115034) is 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CN(C)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is WVQTYDGWQRTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9-5-6-19-12(9)8-16(2)20(17,18)13-4-3-10(14)7-11(13)15/h3-7H,8,15H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61115034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).