2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide

C14H15ClN2O2S — CID 62002038

IUPAC2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-10-4-3-5-12(8-10)17(2)20(18,19)14-9-11(15)6-7-13(14)16/h3-9H,16H2,1-2H3
InChIKeyUMLKRYWHHJBKJQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.06
Rot. Bonds3

About 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide

2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 62002038) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID62002038
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-10-4-3-5-12(8-10)17(2)20(18,19)14-9-11(15)6-7-13(14)16/h3-9H,16H2,1-2H3
InChIKeyUMLKRYWHHJBKJQ-UHFFFAOYSA-N
XLogP3.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(3,5-dimethylphenyl)-N-methylbenzenesulfonamide
CID 62001628
3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 62001660
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
4-(chloromethyl)-2-fluoro-N-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79177255
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
methyl-(3-methylphenyl)sulfamic acid
CID 67996931
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
CID 62982457
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509417

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 62002038) is 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2N)c1.
What is the InChIKey of 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is UMLKRYWHHJBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-4-3-5-12(8-10)17(2)20(18,19)14-9-11(15)6-7-13(14)16/h3-9H,16H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide?
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62002038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).