3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide

C12H13ClN2O2S2 — CID 110752997

IUPAC3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide
SMILESCc1nc(N(C)S(=O)(=O)c2cccc(Cl)c2)sc1C
InChIInChI=1S/C12H13ClN2O2S2/c1-8-9(2)18-12(14-8)15(3)19(16,17)11-6-4-5-10(13)7-11/h4-7H,1-3H3
InChIKeyDTCAJACXADJUBZ-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.24
Rot. Bonds3

About 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide

3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide (PubChem CID 110752997) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide
PubChem CID110752997
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide
SMILESCc1nc(N(C)S(=O)(=O)c2cccc(Cl)c2)sc1C
InChIInChI=1S/C12H13ClN2O2S2/c1-8-9(2)18-12(14-8)15(3)19(16,17)11-6-4-5-10(13)7-11/h4-7H,1-3H3
InChIKeyDTCAJACXADJUBZ-UHFFFAOYSA-N
XLogP3.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide (CID 110752997) is 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide is Cc1nc(N(C)S(=O)(=O)c2cccc(Cl)c2)sc1C.
What is the InChIKey of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is DTCAJACXADJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-8-9(2)18-12(14-8)15(3)19(16,17)11-6-4-5-10(13)7-11/h4-7H,1-3H3.
What are the key properties of 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide?
3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 110752997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).