3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide

C14H14BrClN2O2S — CID 114378692

IUPAC3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H14BrClN2O2S/c1-8-11(16)4-3-5-13(8)18-21(19,20)14-7-10(15)6-12(17)9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyBFANRTVYJUYBGP-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.10
Rot. Bonds3

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

3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 114378692) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID114378692
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H14BrClN2O2S/c1-8-11(16)4-3-5-13(8)18-21(19,20)14-7-10(15)6-12(17)9(14)2/h3-7,18H,17H2,1-2H3
InChIKeyBFANRTVYJUYBGP-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-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
3-amino-5-bromo-N-(5-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 114378862
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
3-amino-5-bromo-N-(3,4-dichlorophenyl)-2-methylbenzenesulfonamide
CID 114378718
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107309159
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide (CID 114378692) is 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is BFANRTVYJUYBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-8-11(16)4-3-5-13(8)18-21(19,20)14-7-10(15)6-12(17)9(14)2/h3-7,18H,17H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide?
3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide 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-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114378692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).