N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide

C10H11BrN2O2S — CID 81291679

IUPACN-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)CC#N
InChIInChI=1S/C10H11BrN2O2S/c1-2-8-7-9(11)3-4-10(8)13-16(14,15)6-5-12/h3-4,7,13H,2,6H2,1H3
InChIKeyBYKJJEIFHQALBE-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.28
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide

N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide (PubChem CID 81291679) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
PubChem CID81291679
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC NameN-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)CC#N
InChIInChI=1S/C10H11BrN2O2S/c1-2-8-7-9(11)3-4-10(8)13-16(14,15)6-5-12/h3-4,7,13H,2,6H2,1H3
InChIKeyBYKJJEIFHQALBE-UHFFFAOYSA-N
XLogP2.28
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
3-[(4-bromo-2-ethylphenyl)sulfamoyl]propanoic acid
CID 81292251
N-(4-bromo-2-ethylphenyl)-2-(propylamino)ethanesulfonamide
CID 106073420
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(2-bromo-4-iodophenyl)-1-cyanomethanesulfonamide
CID 130498678
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
2-[1-[(4-bromo-2-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 81292455
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(4-bromo-2-ethylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 114141749
N-(2-bromo-4-nitrophenyl)-1-cyanomethanesulfonamide
CID 107810838
2-amino-N-(4-bromo-2-ethylphenyl)-6-fluorobenzenesulfonamide
CID 81289719

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide (CID 81291679) is N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)CC#N.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide?
The InChIKey is BYKJJEIFHQALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-2-8-7-9(11)3-4-10(8)13-16(14,15)6-5-12/h3-4,7,13H,2,6H2,1H3.
What are the key properties of N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide?
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide has a molecular weight of 303.18 g/mol, XLogP of 2.28, 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)-1-cyanomethanesulfonamide is sourced from PubChem (CID 81291679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).