1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea

C12H11ClN2O3S2 — CID 15669333

IUPAC1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea
SMILESCc1ccsc1S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S2/c1-8-6-7-19-11(8)20(17,18)15-12(16)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H2,14,15,16)
InChIKeyMQVODAPSHNBRCA-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.22
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea

1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea (PubChem CID 15669333) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea
PubChem CID15669333
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea
SMILESCc1ccsc1S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3S2/c1-8-6-7-19-11(8)20(17,18)15-12(16)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H2,14,15,16)
InChIKeyMQVODAPSHNBRCA-UHFFFAOYSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea (CID 15669333) is 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea is Cc1ccsc1S(=O)(=O)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea?
The InChIKey is MQVODAPSHNBRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-8-6-7-19-11(8)20(17,18)15-12(16)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea?
1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea has a molecular weight of 330.82 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 15669333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).