N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide

C14H20BrNO2S — CID 61454090

IUPACN-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO2S/c1-11-7-8-14(13(15)9-11)16-19(17,18)10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyIENNSEBQAGESIE-UHFFFAOYSA-N
MW346.29 g/mol
LogP4.08
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide

N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide (PubChem CID 61454090) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
PubChem CID61454090
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrNO2S/c1-11-7-8-14(13(15)9-11)16-19(17,18)10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3
InChIKeyIENNSEBQAGESIE-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 114050645
N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
CID 107796761
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 79048598
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
CID 64987508
N-(2-bromo-4-methylphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106042677
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide (CID 61454090) is N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide is Cc1ccc(NS(=O)(=O)CC2CCCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is IENNSEBQAGESIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11-7-8-14(13(15)9-11)16-19(17,18)10-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10H2,1H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide?
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 61454090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).