N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide

C17H24N2O3S — CID 164668072

IUPACN-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(N=C2CCCCC2)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14-9-11-16(12-10-14)23(20,21)19(17-8-5-13-22-17)18-15-6-3-2-4-7-15/h9-12,17H,2-8,13H2,1H3
InChIKeyWPFLNMABJMAKHK-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.44
Rot. Bonds4

About N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide

N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide (PubChem CID 164668072) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide
PubChem CID164668072
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(N=C2CCCCC2)C2CCCO2)cc1
InChIInChI=1S/C17H24N2O3S/c1-14-9-11-16(12-10-14)23(20,21)19(17-8-5-13-22-17)18-15-6-3-2-4-7-15/h9-12,17H,2-8,13H2,1H3
InChIKeyWPFLNMABJMAKHK-UHFFFAOYSA-N
XLogP3.44
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R)-2-chlorooxan-3-yl]-N,4-dimethylbenzenesulfonamide
CID 122209577
N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126146935
4-methylbenzenesulfonic acid;oxolan-2-ol
CID 71367864
(2-methyloxan-3-yl) 4-methylbenzenesulfonate
CID 162523624
N'-cyclohexyl-N-(dimethylamino)-N-(4-methylphenyl)sulfonylmethanimidamide
CID 548106
7-(4-methylphenyl)sulfonyl-2-oxa-7-azabicyclo[4.1.0]heptane
CID 101052943
N-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]cyclopentanimine
CID 123854572
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
N-(cyclobuten-1-yl)-4-methylbenzenesulfonohydrazide
CID 175535624
sodium (cyclohexylideneamino)-(4-methylphenyl)sulfonylazanide
CID 168976257
N-[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-N,4-dimethylbenzenesulfonamide
CID 129427794
(NZ)-N-[(2S)-2-(4-methylphenyl)sulfonylcyclooctylidene]hydroxylamine
CID 40572407

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide?
The IUPAC name of N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide (CID 164668072) is N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(N=C2CCCCC2)C2CCCO2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide?
The InChIKey is WPFLNMABJMAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-14-9-11-16(12-10-14)23(20,21)19(17-8-5-13-22-17)18-15-6-3-2-4-7-15/h9-12,17H,2-8,13H2,1H3.
What are the key properties of N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide?
N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-methyl-N-(oxolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 164668072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).