1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea

C14H20N2O4S — CID 14763045

IUPAC1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-10-2-8-13(9-3-10)21(19,20)16-14(18)15-11-4-6-12(17)7-5-11/h2-3,8-9,11-12,17H,4-7H2,1H3,(H2,15,16,18)
InChIKeyWKPPTYIKBFMPBH-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.29
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea

1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 14763045) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID14763045
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-10-2-8-13(9-3-10)21(19,20)16-14(18)15-11-4-6-12(17)7-5-11/h2-3,8-9,11-12,17H,4-7H2,1H3,(H2,15,16,18)
InChIKeyWKPPTYIKBFMPBH-UHFFFAOYSA-N
XLogP1.29
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Glycyclamide
CID 12628
Hydroxytolbutamide
CID 3656
Hydroxyhexamide
CID 18497
1-(4-Methylcyclohexyl)-3-(4-methylphenyl)sulfonylurea
CID 14763044
N-(4-Hydroxycyclohexyl)-4-methylbenzene-1-sulfonamide
CID 43389437
trans-4-(tert-Butoxycarbonylamino)cyclohexyl 4-methylbenzenesulphonate
CID 20819623
tert-butyl N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonylamino]hexyl]carbamate
CID 44575065
N-(trans-2-Hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 11644719
(2-Hydroxycyclohexyl)[(4-methylphenyl)sulfonyl]amine
CID 575170
3-Cyclohexyl-1-methyl-1-(4-methylphenyl)sulfonylurea
CID 15716440
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 12102720
3-Butyl-1-(hydroxymethyl)-1-(4-methylphenyl)sulfonylurea
CID 53678734

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea (CID 14763045) is 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is WKPPTYIKBFMPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-2-8-13(9-3-10)21(19,20)16-14(18)15-11-4-6-12(17)7-5-11/h2-3,8-9,11-12,17H,4-7H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea?
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 312.39 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 14763045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).