N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide

C10H11BrN2O2S — CID 64593313

IUPACN-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C10H11BrN2O2S/c1-7(2)16(14,15)13-10-4-3-8(6-12)5-9(10)11/h3-5,7,13H,1-2H3
InChIKeyQEULFJVEUXIDQM-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.47
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide

N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide (PubChem CID 64593313) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
PubChem CID64593313
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC NameN-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C10H11BrN2O2S/c1-7(2)16(14,15)13-10-4-3-8(6-12)5-9(10)11/h3-5,7,13H,1-2H3
InChIKeyQEULFJVEUXIDQM-UHFFFAOYSA-N
XLogP2.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4-cyanophenyl)sulfamoyl]propanoic acid
CID 54947598
N-(2-bromo-4-cyanophenyl)-1-cyanopropane-1-sulfonamide
CID 114001914
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64591216
3-bromo-4-(2-propan-2-ylsulfonylethylamino)benzonitrile
CID 107789472
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
3-bromo-4-(3-hydroxybutan-2-ylamino)benzonitrile
CID 107789465
N-(2-bromophenyl)propane-2-sulfonamide
CID 60864383

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide (CID 64593313) is N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(C#N)cc1Br.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide?
The InChIKey is QEULFJVEUXIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-7(2)16(14,15)13-10-4-3-8(6-12)5-9(10)11/h3-5,7,13H,1-2H3.
What are the key properties of N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide?
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide has a molecular weight of 303.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide is sourced from PubChem (CID 64593313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).