1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea

C14H12ClFN2O4S — CID 118729556

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12ClFN2O4S/c1-22-12-7-2-9(15)8-13(12)23(20,21)18-14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyAHSWSKFYLGZHGN-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.00
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea

1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea (PubChem CID 118729556) has the molecular formula C14H12ClFN2O4S and a molecular weight of 358.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea
PubChem CID118729556
Molecular FormulaC14H12ClFN2O4S
Molecular Weight358.78 g/mol
Exact Mass358.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12ClFN2O4S/c1-22-12-7-2-9(15)8-13(12)23(20,21)18-14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyAHSWSKFYLGZHGN-UHFFFAOYSA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea (CID 118729556) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea is COc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea?
The InChIKey is AHSWSKFYLGZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4S/c1-22-12-7-2-9(15)8-13(12)23(20,21)18-14(19)17-11-5-3-10(16)4-6-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea?
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea has a molecular weight of 358.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea is sourced from PubChem (CID 118729556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).