4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide

C10H10BrClN2O2S — CID 62090104

IUPAC4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
SMILESCC(CC#N)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClN2O2S/c1-7(4-5-13)14-17(15,16)10-3-2-8(11)6-9(10)12/h2-3,6-7,14H,4H2,1H3
InChIKeyOVDOORKSFLEXHO-UHFFFAOYSA-N
MW337.63 g/mol
LogP2.68
Rot. Bonds4

About 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide

4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide (PubChem CID 62090104) has the molecular formula C10H10BrClN2O2S and a molecular weight of 337.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
PubChem CID62090104
Molecular FormulaC10H10BrClN2O2S
Molecular Weight337.63 g/mol
Exact Mass335.93
IUPAC Name4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide
SMILESCC(CC#N)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClN2O2S/c1-7(4-5-13)14-17(15,16)10-3-2-8(11)6-9(10)12/h2-3,6-7,14H,4H2,1H3
InChIKeyOVDOORKSFLEXHO-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-bromo-N-(4-bromo-3-methylbutan-2-yl)-2-chlorobenzenesulfonamide
CID 113485097
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
4-bromo-2-chloro-N-(2-methylpropoxy)benzenesulfonamide
CID 82714564
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide (CID 62090104) is 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide is CC(CC#N)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide?
The InChIKey is OVDOORKSFLEXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2S/c1-7(4-5-13)14-17(15,16)10-3-2-8(11)6-9(10)12/h2-3,6-7,14H,4H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide has a molecular weight of 337.63 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-cyanopropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 62090104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).