4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide

C13H12BrClN2O3S — CID 43256338

IUPAC4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N)cc2Br)cc1Cl
InChIInChI=1S/C13H12BrClN2O3S/c1-20-12-4-3-9(7-11(12)15)17-21(18,19)13-5-2-8(16)6-10(13)14/h2-7,17H,16H2,1H3
InChIKeyNMHFNLMWRUZEBQ-UHFFFAOYSA-N
MW391.67 g/mol
LogP3.49
Rot. Bonds4

About 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide

4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide (PubChem CID 43256338) has the molecular formula C13H12BrClN2O3S and a molecular weight of 391.67 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
PubChem CID43256338
Molecular FormulaC13H12BrClN2O3S
Molecular Weight391.67 g/mol
Exact Mass389.94
IUPAC Name4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N)cc2Br)cc1Cl
InChIInChI=1S/C13H12BrClN2O3S/c1-20-12-4-3-9(7-11(12)15)17-21(18,19)13-5-2-8(16)6-10(13)14/h2-7,17H,16H2,1H3
InChIKeyNMHFNLMWRUZEBQ-UHFFFAOYSA-N
XLogP3.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.67
LogP ≤ 53.49
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

N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(4-amino-3-methoxyphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43605023
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 43256680
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide (CID 43256338) is 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(N)cc2Br)cc1Cl.
What is the InChIKey of 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
The InChIKey is NMHFNLMWRUZEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O3S/c1-20-12-4-3-9(7-11(12)15)17-21(18,19)13-5-2-8(16)6-10(13)14/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide?
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide has a molecular weight of 391.67 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 43256338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).