1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea

C10H13ClN2O4S — CID 3082454

IUPAC1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O4S/c1-7(14)6-12-10(15)13-18(16,17)9-4-2-8(11)3-5-9/h2-5,7,14H,6H2,1H3,(H2,12,13,15)
InChIKeyCRTPSTLXICFKCU-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.71
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea

1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea (PubChem CID 3082454) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea
PubChem CID3082454
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O4S/c1-7(14)6-12-10(15)13-18(16,17)9-4-2-8(11)3-5-9/h2-5,7,14H,6H2,1H3,(H2,12,13,15)
InChIKeyCRTPSTLXICFKCU-UHFFFAOYSA-N
XLogP0.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea (CID 3082454) is 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea?
The InChIKey is CRTPSTLXICFKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-7(14)6-12-10(15)13-18(16,17)9-4-2-8(11)3-5-9/h2-5,7,14H,6H2,1H3,(H2,12,13,15).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea?
1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea has a molecular weight of 292.74 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 3082454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).