3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide

C14H15BrN2O3S — CID 61126476

IUPAC3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Br)cc(C)c1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H15BrN2O3S/c1-9-6-10(15)7-13(20-2)14(9)17-21(18,19)12-5-3-4-11(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyKYFMUNFCCHMRRW-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.15
Rot. Bonds4

About 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide

3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide (PubChem CID 61126476) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide
PubChem CID61126476
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Br)cc(C)c1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H15BrN2O3S/c1-9-6-10(15)7-13(20-2)14(9)17-21(18,19)12-5-3-4-11(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyKYFMUNFCCHMRRW-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
N-(4-bromo-2-methoxy-6-methylphenyl)-2-chloroethanesulfonamide
CID 107651570
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
CID 82859346
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
N-(4-bromo-2-methoxy-6-methylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60985166
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide (CID 61126476) is 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide is COc1cc(Br)cc(C)c1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide?
The InChIKey is KYFMUNFCCHMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-9-6-10(15)7-13(20-2)14(9)17-21(18,19)12-5-3-4-11(16)8-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide?
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 61126476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).