5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide

C15H17BrN2O2S — CID 43105910

IUPAC5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NC(C)c2ccc(Br)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17BrN2O2S/c1-10-3-8-14(9-15(10)21(17,19)20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyHEUAFJHAFFUPOK-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.58
Rot. Bonds4

About 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide

5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide (PubChem CID 43105910) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
PubChem CID43105910
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NC(C)c2ccc(Br)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17BrN2O2S/c1-10-3-8-14(9-15(10)21(17,19)20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyHEUAFJHAFFUPOK-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-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 43101041
2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43203342
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-nitroaniline
CID 79767910
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
3-bromo-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-methylaniline
CID 63462952
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide (CID 43105910) is 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide is Cc1ccc(NC(C)c2ccc(Br)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide?
The InChIKey is HEUAFJHAFFUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-3-8-14(9-15(10)21(17,19)20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3,(H2,17,19,20).
What are the key properties of 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide?
5-[1-(4-bromophenyl)ethylamino]-2-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 5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 43105910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).