5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

C14H20BrNO2S — CID 60660580

IUPAC5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H20BrNO2S/c1-10-3-7-13(8-4-10)16-19(17,18)14-9-12(15)6-5-11(14)2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3
InChIKeyBKDCANZOILZIGT-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.61
Rot. Bonds3

About 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide

5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 60660580) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID60660580
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H20BrNO2S/c1-10-3-7-13(8-4-10)16-19(17,18)14-9-12(15)6-5-11(14)2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3
InChIKeyBKDCANZOILZIGT-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-hydroxycyclohexyl)-2-methylbenzenesulfonamide
CID 43392103
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
5-bromo-2-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 60660673
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 63923380
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 160805742
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 60660580) is 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is BKDCANZOILZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-10-3-7-13(8-4-10)16-19(17,18)14-9-12(15)6-5-11(14)2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide?
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 60660580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).