1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea

C14H13ClN2O4S — CID 118729557

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H13ClN2O4S/c1-21-12-8-7-10(15)9-13(12)22(19,20)17-14(18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyNSTFRGPSIPRODC-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.86
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea

1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea (PubChem CID 118729557) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea
PubChem CID118729557
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H13ClN2O4S/c1-21-12-8-7-10(15)9-13(12)22(19,20)17-14(18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKeyNSTFRGPSIPRODC-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.86
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-phenylurea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea (CID 118729557) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea is COc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea?
The InChIKey is NSTFRGPSIPRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-21-12-8-7-10(15)9-13(12)22(19,20)17-14(18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea?
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylurea has a molecular weight of 340.79 g/mol, XLogP of 2.86, 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-phenylurea is sourced from PubChem (CID 118729557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).