3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide

C15H11Cl2NO2S3 — CID 10237732

IUPAC3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cscc1-c1ccc(Cl)s1
InChIInChI=1S/C15H11Cl2NO2S3/c1-9-11(16)3-2-4-14(9)23(19,20)18-12-8-21-7-10(12)13-5-6-15(17)22-13/h2-8,18H,1H3
InChIKeyGVBHUVXDMWIGLG-UHFFFAOYSA-N
MW404.37 g/mol
LogP5.89
Rot. Bonds4

About 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide

3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide (PubChem CID 10237732) has the molecular formula C15H11Cl2NO2S3 and a molecular weight of 404.37 g/mol. Its IUPAC name is 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide
PubChem CID10237732
Molecular FormulaC15H11Cl2NO2S3
Molecular Weight404.37 g/mol
Exact Mass402.93
IUPAC Name3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cscc1-c1ccc(Cl)s1
InChIInChI=1S/C15H11Cl2NO2S3/c1-9-11(16)3-2-4-14(9)23(19,20)18-12-8-21-7-10(12)13-5-6-15(17)22-13/h2-8,18H,1H3
InChIKeyGVBHUVXDMWIGLG-UHFFFAOYSA-N
XLogP5.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.37
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide (CID 10237732) is 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cscc1-c1ccc(Cl)s1.
What is the InChIKey of 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is GVBHUVXDMWIGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2S3/c1-9-11(16)3-2-4-14(9)23(19,20)18-12-8-21-7-10(12)13-5-6-15(17)22-13/h2-8,18H,1H3.
What are the key properties of 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 404.37 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(5-chlorothiophen-2-yl)thiophen-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10237732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).