3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide

C15H17BrN2O2S — CID 43744252

IUPAC3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-10-7-8-12(21(17,19)20)9-15(10)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyKILPVIUGAZMULM-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.58
Rot. Bonds4

About 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide

3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide (PubChem CID 43744252) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
PubChem CID43744252
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(C)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-10-7-8-12(21(17,19)20)9-15(10)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyKILPVIUGAZMULM-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(5-bromofuran-2-yl)ethylamino]-4-methylbenzenesulfonamide
CID 104652671
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
CID 43685169
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide (CID 43744252) is 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NC(C)c1ccccc1Br.
What is the InChIKey of 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide?
The InChIKey is KILPVIUGAZMULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-7-8-12(21(17,19)20)9-15(10)18-11(2)13-5-3-4-6-14(13)16/h3-9,11,18H,1-2H3,(H2,17,19,20).
What are the key properties of 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide?
3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 43744252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).