4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide

C13H18BrNO2S — CID 54920579

IUPAC4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)C2CC2)ccc1Br
InChIInChI=1S/C13H18BrNO2S/c1-9-8-12(6-7-13(9)14)18(16,17)15(3)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3
InChIKeyVJYKGPZANVFYDK-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.18
Rot. Bonds4

About 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide

4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 54920579) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
PubChem CID54920579
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)C2CC2)ccc1Br
InChIInChI=1S/C13H18BrNO2S/c1-9-8-12(6-7-13(9)14)18(16,17)15(3)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3
InChIKeyVJYKGPZANVFYDK-UHFFFAOYSA-N
XLogP3.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
4-tert-butyl-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 134018131
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
4-bromo-N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113239022
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
N-(1-cyclopropylethyl)-N-methyl-2-oxochromene-6-sulfonamide
CID 24677974
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
2-amino-4-bromo-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 43568793

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide (CID 54920579) is 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C(C)C2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is VJYKGPZANVFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-9-8-12(6-7-13(9)14)18(16,17)15(3)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide?
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 54920579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).