1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea

C14H20N2O4S — CID 40596016

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10-6-8-11(9-7-10)21(19,20)16-14(18)15-12-4-2-3-5-13(12)17/h6-9,12-13,17H,2-5H2,1H3,(H2,15,16,18)/t12-,13-/m1/s1
InChIKeyMTGRWHDDDGKLLX-CHWSQXEVSA-N
MW312.39 g/mol
LogP1.29
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea

1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 40596016) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID40596016
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10-6-8-11(9-7-10)21(19,20)16-14(18)15-12-4-2-3-5-13(12)17/h6-9,12-13,17H,2-5H2,1H3,(H2,15,16,18)/t12-,13-/m1/s1
InChIKeyMTGRWHDDDGKLLX-CHWSQXEVSA-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

Analyze 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea 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

1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-[(1R,2R)-2-hydroxycyclohexyl]-3-pyridin-2-ylsulfonylurea
CID 154852000
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
CID 134115577
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
1-[(2S,3R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 59004857
1-(4-methylphenyl)sulfonyl-3-(2-thiophen-2-ylcyclopropyl)urea
CID 110747154
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea (CID 40596016) is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is MTGRWHDDDGKLLX-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-6-8-11(9-7-10)21(19,20)16-14(18)15-12-4-2-3-5-13(12)17/h6-9,12-13,17H,2-5H2,1H3,(H2,15,16,18)/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea?
1-[(1R,2R)-2-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-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 40596016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).