3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide

C14H14BrClN2O2S — CID 43168118

IUPAC3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc(N)c1C
InChIInChI=1S/C14H14BrClN2O2S/c1-8-5-11(7-13(17)9(8)2)21(19,20)18-14-4-3-10(15)6-12(14)16/h3-7,18H,17H2,1-2H3
InChIKeyTWCCSGBMWXYGFA-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.10
Rot. Bonds3

About 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43168118) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID43168118
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc(N)c1C
InChIInChI=1S/C14H14BrClN2O2S/c1-8-5-11(7-13(17)9(8)2)21(19,20)18-14-4-3-10(15)6-12(14)16/h3-7,18H,17H2,1-2H3
InChIKeyTWCCSGBMWXYGFA-UHFFFAOYSA-N
XLogP4.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.10
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

3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 29298879
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
5-amino-N-(4-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80628443
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide (CID 43168118) is 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc(N)c1C.
What is the InChIKey of 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is TWCCSGBMWXYGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-8-5-11(7-13(17)9(8)2)21(19,20)18-14-4-3-10(15)6-12(14)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43168118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).