1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea

C12H11ClN2O3S3 — CID 15669320

IUPAC1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea
SMILESCSc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN2O3S3/c1-19-10-6-7-11(20-10)21(17,18)15-12(16)14-9-4-2-8(13)3-5-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyPYEQVUHCGMMISO-UHFFFAOYSA-N
MW362.89 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea

1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea (PubChem CID 15669320) has the molecular formula C12H11ClN2O3S3 and a molecular weight of 362.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea
PubChem CID15669320
Molecular FormulaC12H11ClN2O3S3
Molecular Weight362.89 g/mol
Exact Mass361.96
IUPAC Name1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea
SMILESCSc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C12H11ClN2O3S3/c1-19-10-6-7-11(20-10)21(17,18)15-12(16)14-9-4-2-8(13)3-5-9/h2-7H,1H3,(H2,14,15,16)
InChIKeyPYEQVUHCGMMISO-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea (CID 15669320) is 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea is CSc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea?
The InChIKey is PYEQVUHCGMMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S3/c1-19-10-6-7-11(20-10)21(17,18)15-12(16)14-9-4-2-8(13)3-5-9/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea?
1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea has a molecular weight of 362.89 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-methylsulfanylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 15669320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).