N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C13H20N2O2S — CID 43653533

IUPACN-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-14-11-7-9-12(10-8-11)15-18(16,17)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3
InChIKeyVQERGLMIRUFSEV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.50
Rot. Bonds4

About N-[4-(methylamino)cyclohexyl]benzenesulfonamide

N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 43653533) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID43653533
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C13H20N2O2S/c1-14-11-7-9-12(10-8-11)15-18(16,17)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3
InChIKeyVQERGLMIRUFSEV-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111370
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-(8-azabicyclo[3.2.1]octan-3-yl)benzenesulfonamide
CID 61231401
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 90633513
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]benzenesulfonamide
CID 43602911
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 43653533) is N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is VQERGLMIRUFSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-11-7-9-12(10-8-11)15-18(16,17)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3.
What are the key properties of N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 43653533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).