3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide

C14H14ClFN2O2S — CID 29051345

IUPAC3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-10(16)3-4-14(8)18-21(19,20)11-6-12(15)9(2)13(17)7-11/h3-7,18H,17H2,1-2H3
InChIKeyRLXFCOYNBXXGRE-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

About 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 29051345) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID29051345
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-8-5-10(16)3-4-14(8)18-21(19,20)11-6-12(15)9(2)13(17)7-11/h3-7,18H,17H2,1-2H3
InChIKeyRLXFCOYNBXXGRE-UHFFFAOYSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.48
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-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide (CID 29051345) is 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is RLXFCOYNBXXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-5-10(16)3-4-14(8)18-21(19,20)11-6-12(15)9(2)13(17)7-11/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 3.48, 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-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 29051345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).