4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide

C14H14BrClN2O2S — CID 61105575

IUPAC4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-9(10-2-4-11(16)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)15/h2-9,18H,17H2,1H3
InChIKeyWIERPVSCPTVYBR-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.72
Rot. Bonds4

About 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide

4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 61105575) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID61105575
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H14BrClN2O2S/c1-9(10-2-4-11(16)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)15/h2-9,18H,17H2,1H3
InChIKeyWIERPVSCPTVYBR-UHFFFAOYSA-N
XLogP3.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.72
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-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide (CID 61105575) is 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is WIERPVSCPTVYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-9(10-2-4-11(16)5-3-10)18-21(19,20)14-7-6-12(17)8-13(14)15/h2-9,18H,17H2,1H3.
What are the key properties of 4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide?
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.72, 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-[1-(4-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61105575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).