2-amino-4-chloro-6-methylbenzenesulfonamide

C7H9ClN2O2S — CID 142791443

IUPAC2-amino-4-chloro-6-methylbenzenesulfonamide
SMILESCc1cc(Cl)cc(N)c1S(N)(=O)=O
InChIInChI=1S/C7H9ClN2O2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKeyMHUFYDXXYSNDPL-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.88
Rot. Bonds1

About 2-amino-4-chloro-6-methylbenzenesulfonamide

2-amino-4-chloro-6-methylbenzenesulfonamide (PubChem CID 142791443) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 2-amino-4-chloro-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-6-methylbenzenesulfonamide
PubChem CID142791443
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name2-amino-4-chloro-6-methylbenzenesulfonamide
SMILESCc1cc(Cl)cc(N)c1S(N)(=O)=O
InChIInChI=1S/C7H9ClN2O2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKeyMHUFYDXXYSNDPL-UHFFFAOYSA-N
XLogP0.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2-amino-4-chloro-6-methylbenzenesulfonate);nickel(3+)
CID 101303865
2-amino-4-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119010128
2-amino-6-methyl-4-nitrobenzenesulfonamide
CID 142791442
2,5-dichloro-3-methylaniline;ethane
CID 155747818
2,6-dibromo-4-chlorobenzenesulfonamide
CID 130484005
2-chloro-4-fluoro-6-methylbenzenesulfonamide
CID 119007559
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
lithium 2-amino-5-chloro-3-methylbenzenesulfonate
CID 101303751
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
2-bromo-4-chloro-6-methylaniline
CID 20543754

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-6-methylbenzenesulfonamide (CID 142791443) is 2-amino-4-chloro-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-6-methylbenzenesulfonamide is Cc1cc(Cl)cc(N)c1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-chloro-6-methylbenzenesulfonamide?
The InChIKey is MHUFYDXXYSNDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12).
What are the key properties of 2-amino-4-chloro-6-methylbenzenesulfonamide?
2-amino-4-chloro-6-methylbenzenesulfonamide has a molecular weight of 220.68 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-methylbenzenesulfonamide is sourced from PubChem (CID 142791443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).