5-amino-3-chloro-2-methylbenzenesulfonamide

C7H9ClN2O2S — CID 68873212

IUPAC5-amino-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C7H9ClN2O2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKeyZZFUKKZAKGOTNN-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.88
Rot. Bonds1

About 5-amino-3-chloro-2-methylbenzenesulfonamide

5-amino-3-chloro-2-methylbenzenesulfonamide (PubChem CID 68873212) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 5-amino-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-methylbenzenesulfonamide
PubChem CID68873212
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name5-amino-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C7H9ClN2O2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKeyZZFUKKZAKGOTNN-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

calcium bis(5-amino-3-chloro-2-methylbenzenesulfonate)
CID 101303910
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
5-amino-3-(2-chloroanilino)-2-methylbenzenesulfonamide
CID 79896206
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
4-amino-2-chlorobenzenesulfonamide
CID 12533522
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
3-bromo-5-chloro-2-methylbenzenesulfonamide
CID 53443946
5-amino-3-(2,2-dimethylbutylamino)-2-methylbenzenesulfonamide
CID 103460220
5-amino-2-methyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328139
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 79905154

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-methylbenzenesulfonamide (CID 68873212) is 5-amino-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is ZZFUKKZAKGOTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12).
What are the key properties of 5-amino-3-chloro-2-methylbenzenesulfonamide?
5-amino-3-chloro-2-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 5-amino-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 68873212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).