N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide

C15H13BrN2O2S — CID 80970330

IUPACN-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H13BrN2O2S/c1-2-12-9-13(16)6-7-15(12)18-21(19,20)14-5-3-4-11(8-14)10-17/h3-9,18H,2H2,1H3
InChIKeyOLBDVJQAKFEGKB-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.68
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide

N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide (PubChem CID 80970330) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
PubChem CID80970330
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H13BrN2O2S/c1-2-12-9-13(16)6-7-15(12)18-21(19,20)14-5-3-4-11(8-14)10-17/h3-9,18H,2H2,1H3
InChIKeyOLBDVJQAKFEGKB-UHFFFAOYSA-N
XLogP3.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
CID 82705509
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679
3-[(3-cyanophenyl)sulfonylamino]-4-(propylamino)benzenesulfonamide
CID 30766179
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide (CID 80970330) is N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide?
The InChIKey is OLBDVJQAKFEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-2-12-9-13(16)6-7-15(12)18-21(19,20)14-5-3-4-11(8-14)10-17/h3-9,18H,2H2,1H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide?
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 80970330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).