1-(4-chlorophenyl)sulfonyl-3-propylurea

C10H13ClN2O3S — CID 2727

💊View drug profile → chlorpropamide
IUPAC1-(4-chlorophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChIKeyRKWGIWYCVPQPMF-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.74
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-propylurea

1-(4-chlorophenyl)sulfonyl-3-propylurea (PubChem CID 2727) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-propylurea
PubChem CID2727
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChIKeyRKWGIWYCVPQPMF-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Chloro-N-((cyclohexylamino)carbonyl)benzenesulfonamide
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Phenbutamide
CID 18466
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
1-[(3-chlorobenzene)sulfonyl]-3-[(3E)-6-({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)hex-3-en-1-yl]urea
CID 24968648
4-Chloro-n-propylbenzenesulfonamide
CID 101302
4-Chloro-N-(((2-hydroxypropyl)amino)carbonyl)benzenesulfonamide
CID 3082454
1-(4-Chlorophenyl)sulfonyl-3-ethylthiourea
CID 914064
4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 965272
N~3~-[(4-chlorophenyl)sulfonyl]-N~1~-(3-methylbutyl)-beta-alaninamide
CID 3243847
1-[(3-Chlorobenzene)sulfonyl]-3-[4-({[(3-chlorobenzene)sulfonyl]carbamoyl}amino)butyl]urea
CID 44587601

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propylurea?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propylurea (CID 2727) is 1-(4-chlorophenyl)sulfonyl-3-propylurea.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-propylurea?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-propylurea?
The InChIKey is RKWGIWYCVPQPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-propylurea?
1-(4-chlorophenyl)sulfonyl-3-propylurea has a molecular weight of 276.75 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-propylurea is sourced from PubChem (CID 2727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).