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

C14H15BrN2O2S — CID 61111771

IUPAC4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-10(13-4-2-3-5-14(13)15)17-20(18,19)12-8-6-11(16)7-9-12/h2-10,17H,16H2,1H3
InChIKeyKTWGSHJTDFZVOU-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.07
Rot. Bonds4

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

4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide (PubChem CID 61111771) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
PubChem CID61111771
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(N)cc1)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-10(13-4-2-3-5-14(13)15)17-20(18,19)12-8-6-11(16)7-9-12/h2-10,17H,16H2,1H3
InChIKeyKTWGSHJTDFZVOU-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.07
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-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111772
2-amino-5-bromo-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61110850
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81397801
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
CID 61113097
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide (CID 61111771) is 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(N)cc1)c1ccccc1Br.
What is the InChIKey of 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
The InChIKey is KTWGSHJTDFZVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10(13-4-2-3-5-14(13)15)17-20(18,19)12-8-6-11(16)7-9-12/h2-10,17H,16H2,1H3.
What are the key properties of 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide?
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61111771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).