N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide

C20H22N2O2S — CID 90935534

IUPACN-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESC=C1CCCC(NS(=O)(=O)c2ccc(-c3cccc(C)n3)cc2)C1=C
InChIInChI=1S/C20H22N2O2S/c1-14-6-4-8-19(16(14)3)22-25(23,24)18-12-10-17(11-13-18)20-9-5-7-15(2)21-20/h5,7,9-13,19,22H,1,3-4,6,8H2,2H3
InChIKeyFRQAZKWAYCQNHZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.00
Rot. Bonds4

About N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide

N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 90935534) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID90935534
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESC=C1CCCC(NS(=O)(=O)c2ccc(-c3cccc(C)n3)cc2)C1=C
InChIInChI=1S/C20H22N2O2S/c1-14-6-4-8-19(16(14)3)22-25(23,24)18-12-10-17(11-13-18)20-9-5-7-15(2)21-20/h5,7,9-13,19,22H,1,3-4,6,8H2,2H3
InChIKeyFRQAZKWAYCQNHZ-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[[4-(6-methoxy-2-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44816535
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide;hydrochloride
CID 120722238
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 95064437
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]benzenesulfonamide
CID 95740817
4-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917434
2-[[5-[[4-(5-methyl-2-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44814632
2-[[5-[[4-(4-methylphenyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 66633385
4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
CID 55905638
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine
CID 89470125
2-[[5-[[4-(3-methyl-2-pyridinyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 44815333
4-bromo-3-methyl-N-(2-oxocyclopentyl)benzenesulfonamide
CID 134362315

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 90935534) is N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide is C=C1CCCC(NS(=O)(=O)c2ccc(-c3cccc(C)n3)cc2)C1=C.
What is the InChIKey of N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is FRQAZKWAYCQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-6-4-8-19(16(14)3)22-25(23,24)18-12-10-17(11-13-18)20-9-5-7-15(2)21-20/h5,7,9-13,19,22H,1,3-4,6,8H2,2H3.
What are the key properties of N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide?
N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 90935534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).