3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide

C13H12ClFN2O2S — CID 29053591

IUPAC3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2cccc(F)c2)cc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-8-12(14)6-11(7-13(8)16)20(18,19)17-10-4-2-3-9(15)5-10/h2-7,17H,16H2,1H3
InChIKeyVSSXNHGIZOGDIZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 29053591) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID29053591
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2cccc(F)c2)cc1Cl
InChIInChI=1S/C13H12ClFN2O2S/c1-8-12(14)6-11(7-13(8)16)20(18,19)17-10-4-2-3-9(15)5-10/h2-7,17H,16H2,1H3
InChIKeyVSSXNHGIZOGDIZ-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.17
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

Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
N-(2-Chlorophenyl)-4-methylbenzenesulfonamide
CID 80791
4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
4-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 722856
3-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 889300
3',4-Dichloro-2'-methylbenzenesulfonanilide
CID 295195
4-Chloro-2'-ethylbenzenesulfonanilide
CID 765849
2,5-dichloro-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 986647
3-amino-4-chloro-N-(3-chloro-4-methylphenyl)benzene-1-sulfonamide
CID 3843782
Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
CID 80806
N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 241733

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide (CID 29053591) is 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2cccc(F)c2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is VSSXNHGIZOGDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-12(14)6-11(7-13(8)16)20(18,19)17-10-4-2-3-9(15)5-10/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(3-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 29053591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).