4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C16H13ClN2O2S2 — CID 2055918

IUPAC4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C16H13ClN2O2S2/c1-11-18-16(10-22-11)12-2-6-14(7-3-12)19-23(20,21)15-8-4-13(17)5-9-15/h2-10,19H,1H3
InChIKeyNAFNHQAZRWDMJB-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.57
Rot. Bonds4

About 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 2055918) has the molecular formula C16H13ClN2O2S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID2055918
Molecular FormulaC16H13ClN2O2S2
Molecular Weight364.88 g/mol
Exact Mass364.01
IUPAC Name4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C16H13ClN2O2S2/c1-11-18-16(10-22-11)12-2-6-14(7-3-12)19-23(20,21)15-8-4-13(17)5-9-15/h2-10,19H,1H3
InChIKeyNAFNHQAZRWDMJB-UHFFFAOYSA-N
XLogP4.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 2055918) is 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is NAFNHQAZRWDMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S2/c1-11-18-16(10-22-11)12-2-6-14(7-3-12)19-23(20,21)15-8-4-13(17)5-9-15/h2-10,19H,1H3.
What are the key properties of 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 364.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2055918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).