3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide

C13H11BrCl2N2O2S — CID 114378718

IUPAC3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2S/c1-7-12(17)4-8(14)5-13(7)21(19,20)18-9-2-3-10(15)11(16)6-9/h2-6,18H,17H2,1H3
InChIKeyRSLBKXNSPZYYEP-UHFFFAOYSA-N
MW410.12 g/mol
LogP4.45
Rot. Bonds3

About 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide

3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide (PubChem CID 114378718) has the molecular formula C13H11BrCl2N2O2S and a molecular weight of 410.12 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
PubChem CID114378718
Molecular FormulaC13H11BrCl2N2O2S
Molecular Weight410.12 g/mol
Exact Mass407.91
IUPAC Name3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2S/c1-7-12(17)4-8(14)5-13(7)21(19,20)18-9-2-3-10(15)11(16)6-9/h2-6,18H,17H2,1H3
InChIKeyRSLBKXNSPZYYEP-UHFFFAOYSA-N
XLogP4.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.12
LogP ≤ 54.45
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-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79884838
3-amino-5-bromo-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 114378523
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
3-amino-5-chloro-N-(4-fluoro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 114379533
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide (CID 114378718) is 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is RSLBKXNSPZYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2S/c1-7-12(17)4-8(14)5-13(7)21(19,20)18-9-2-3-10(15)11(16)6-9/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide?
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 410.12 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114378718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).