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

C14H14ClFN2O2S — CID 107624529

IUPAC3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(F)c(N)c2)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-4-11(15)13(5-8)18-21(19,20)10-6-9(2)14(16)12(17)7-10/h3-7,18H,17H2,1-2H3
InChIKeyVVTDHROFEMJOSF-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.48
Rot. Bonds3

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

3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 107624529) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
PubChem CID107624529
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC Name3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(F)c(N)c2)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-8-3-4-11(15)13(5-8)18-21(19,20)10-6-9(2)14(16)12(17)7-10/h3-7,18H,17H2,1-2H3
InChIKeyVVTDHROFEMJOSF-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-chloro-2-iodophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624621
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
5-amino-N-(2-chloro-5-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 107624495
3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 29298879
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
2-amino-N-(2-chloro-5-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 107624506
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide (CID 107624529) is 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)c2cc(C)c(F)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is VVTDHROFEMJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-8-3-4-11(15)13(5-8)18-21(19,20)10-6-9(2)14(16)12(17)7-10/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide?
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-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-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 107624529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).