N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide

C14H17BrN2O2S — CID 106441026

IUPACN-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NC2CCCCC2Br)cc1
InChIInChI=1S/C14H17BrN2O2S/c15-13-3-1-2-4-14(13)17-20(18,19)10-12-7-5-11(9-16)6-8-12/h5-8,13-14,17H,1-4,10H2
InChIKeyQQOFXYNQXRHYIJ-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.68
Rot. Bonds4

About N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide

N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 106441026) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID106441026
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC NameN-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NC2CCCCC2Br)cc1
InChIInChI=1S/C14H17BrN2O2S/c15-13-3-1-2-4-14(13)17-20(18,19)10-12-7-5-11(9-16)6-8-12/h5-8,13-14,17H,1-4,10H2
InChIKeyQQOFXYNQXRHYIJ-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872
2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 138050387
N-(2-bromocycloheptyl)-4-cyanobenzamide
CID 113395146
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-[(1R,2R)-2-hydroxycyclohexyl]-1-(4-nitrophenyl)methanesulfonamide
CID 104922450
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide (CID 106441026) is N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NC2CCCCC2Br)cc1.
What is the InChIKey of N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is QQOFXYNQXRHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c15-13-3-1-2-4-14(13)17-20(18,19)10-12-7-5-11(9-16)6-8-12/h5-8,13-14,17H,1-4,10H2.
What are the key properties of N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide?
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 357.27 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 N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 106441026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).