N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide

C18H30N2O2S — CID 130233502

IUPACN-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide
SMILESCC(C)C1(C(C)(C)C)CCC(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H30N2O2S/c1-14(2)18(17(3,4)5)10-8-15(9-11-18)20-23(21,22)16-7-6-12-19-13-16/h6-7,12-15,20H,8-11H2,1-5H3
InChIKeyALIZBCFLLIZYAL-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.99
Rot. Bonds4

About N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide

N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 130233502) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide
PubChem CID130233502
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide
SMILESCC(C)C1(C(C)(C)C)CCC(NS(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H30N2O2S/c1-14(2)18(17(3,4)5)10-8-15(9-11-18)20-23(21,22)16-7-6-12-19-13-16/h6-7,12-15,20H,8-11H2,1-5H3
InChIKeyALIZBCFLLIZYAL-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylate
CID 115617333
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide
CID 91910836
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
N-[4-(4-fluorophenyl)sulfonyl-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]cyclohexyl]pyridine-3-sulfonamide
CID 118218925
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
1-methyl-2-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214671

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide (CID 130233502) is N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide is CC(C)C1(C(C)(C)C)CCC(NS(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is ALIZBCFLLIZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-14(2)18(17(3,4)5)10-8-15(9-11-18)20-23(21,22)16-7-6-12-19-13-16/h6-7,12-15,20H,8-11H2,1-5H3.
What are the key properties of N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide?
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 338.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-4-propan-2-ylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 130233502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).