1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea

C17H17FN2O3S — CID 154755092

IUPAC1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c1-24(22,23)16-5-3-2-4-14(16)19-17(21)20-15-10-13(15)11-6-8-12(18)9-7-11/h2-9,13,15H,10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1
InChIKeyJCFSHBRUTOXHKV-DZGCQCFKSA-N
MW348.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea

1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea (PubChem CID 154755092) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea
PubChem CID154755092
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c1-24(22,23)16-5-3-2-4-14(16)19-17(21)20-15-10-13(15)11-6-8-12(18)9-7-11/h2-9,13,15H,10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1
InChIKeyJCFSHBRUTOXHKV-DZGCQCFKSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea?
The IUPAC name of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea (CID 154755092) is 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea is CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea?
The InChIKey is JCFSHBRUTOXHKV-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-24(22,23)16-5-3-2-4-14(16)19-17(21)20-15-10-13(15)11-6-8-12(18)9-7-11/h2-9,13,15H,10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea?
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea has a molecular weight of 348.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea is sourced from PubChem (CID 154755092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).