4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide

C15H17BrN2O2S — CID 43256680

IUPAC4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(N)cc2Br)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10(2)11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(17)9-14(15)16/h3-10,18H,17H2,1-2H3
InChIKeyXKAZEXKMHBXHRU-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.96
Rot. Bonds4

About 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide

4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 43256680) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
PubChem CID43256680
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(N)cc2Br)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10(2)11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(17)9-14(15)16/h3-10,18H,17H2,1-2H3
InChIKeyXKAZEXKMHBXHRU-UHFFFAOYSA-N
XLogP3.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.96
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

4-amino-2-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62144250
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 86839558
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide (CID 43256680) is 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1cccc(NS(=O)(=O)c2ccc(N)cc2Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is XKAZEXKMHBXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10(2)11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(17)9-14(15)16/h3-10,18H,17H2,1-2H3.
What are the key properties of 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide?
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 43256680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).