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

C13H18N2O4S — CID 40596528

IUPAC1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C13H18N2O4S/c1-9-5-7-10(8-6-9)20(18,19)15-13(17)14-11-3-2-4-12(11)16/h5-8,11-12,16H,2-4H2,1H3,(H2,14,15,17)/t11-,12+/m1/s1
InChIKeyWCDMBXBULOOAET-NEPJUHHUSA-N
MW298.36 g/mol
LogP0.90
Rot. Bonds3

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

1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 40596528) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID40596528
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCC[C@@H]2O)cc1
InChIInChI=1S/C13H18N2O4S/c1-9-5-7-10(8-6-9)20(18,19)15-13(17)14-11-3-2-4-12(11)16/h5-8,11-12,16H,2-4H2,1H3,(H2,14,15,17)/t11-,12+/m1/s1
InChIKeyWCDMBXBULOOAET-NEPJUHHUSA-N
XLogP0.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
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
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110369965
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
CID 134115577

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea (CID 40596528) is 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CCC[C@@H]2O)cc1.
What is the InChIKey of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is WCDMBXBULOOAET-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-5-7-10(8-6-9)20(18,19)15-13(17)14-11-3-2-4-12(11)16/h5-8,11-12,16H,2-4H2,1H3,(H2,14,15,17)/t11-,12+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea?
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 298.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 40596528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).