4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C10H9ClN2O2S2 — CID 35523763

IUPAC4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-6-12-10(16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyYXDMHGULXOBBIZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.91
Rot. Bonds3

About 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 35523763) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID35523763
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-6-12-10(16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyYXDMHGULXOBBIZ-UHFFFAOYSA-N
XLogP2.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 35523763) is 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is YXDMHGULXOBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-7-6-12-10(16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 35523763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).