1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea

C11H13ClN2O3S — CID 7256191

IUPAC1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H13ClN2O3S/c12-9-3-1-2-4-10(9)14-11(15)13-8-5-6-18(16,17)7-8/h1-4,8H,5-7H2,(H2,13,14,15)/t8-/m1/s1
InChIKeySAKZBVDVBZMESQ-MRVPVSSYSA-N
MW288.76 g/mol
LogP1.65
Rot. Bonds2

About 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea

1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea (PubChem CID 7256191) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
PubChem CID7256191
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H13ClN2O3S/c12-9-3-1-2-4-10(9)14-11(15)13-8-5-6-18(16,17)7-8/h1-4,8H,5-7H2,(H2,13,14,15)/t8-/m1/s1
InChIKeySAKZBVDVBZMESQ-MRVPVSSYSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-3-(1,1-dioxothiolan-3-yl)urea
CID 110706193
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
CID 102566980
2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoic acid
CID 61182882
methyl 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoate
CID 71691549
1-(2-chloro-4-methoxyphenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 95239873
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
1-[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)urea
CID 129375199
1-(3-bromo-2-methylphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 124606142
1-(1,1-dioxothiolan-3-yl)-3-[2-[(1,1-dioxothiolan-3-yl)carbamothioylamino]phenyl]thiourea
CID 102566913
2-[(1,1-dioxothian-3-yl)carbamoylamino]benzoic acid
CID 63923401
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea (CID 7256191) is 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea is O=C(Nc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea?
The InChIKey is SAKZBVDVBZMESQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-9-3-1-2-4-10(9)14-11(15)13-8-5-6-18(16,17)7-8/h1-4,8H,5-7H2,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea?
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea has a molecular weight of 288.76 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea is sourced from PubChem (CID 7256191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).