4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide

C14H17BrN2O2S — CID 134362277

IUPAC4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(C#N)CC2)ccc1Br
InChIInChI=1S/C14H17BrN2O2S/c1-10-8-13(6-7-14(10)15)20(18,19)17-12-4-2-11(9-16)3-5-12/h6-8,11-12,17H,2-5H2,1H3
InChIKeyUYVHCGFTVHMGMK-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.12
Rot. Bonds3

About 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide

4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide (PubChem CID 134362277) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide
PubChem CID134362277
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(C#N)CC2)ccc1Br
InChIInChI=1S/C14H17BrN2O2S/c1-10-8-13(6-7-14(10)15)20(18,19)17-12-4-2-11(9-16)3-5-12/h6-8,11-12,17H,2-5H2,1H3
InChIKeyUYVHCGFTVHMGMK-UHFFFAOYSA-N
XLogP3.12
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
4-bromo-N-(1,1-dioxothian-3-yl)-3-methylbenzenesulfonamide
CID 63924383
N-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 55483004
4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide
CID 134362315
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994
4-bromo-3-methylbenzenesulfonyl bromide
CID 130493717
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide (CID 134362277) is 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCC(C#N)CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide?
The InChIKey is UYVHCGFTVHMGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-10-8-13(6-7-14(10)15)20(18,19)17-12-4-2-11(9-16)3-5-12/h6-8,11-12,17H,2-5H2,1H3.
What are the key properties of 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide?
4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide has a molecular weight of 357.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyanocyclohexyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 134362277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).