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

C12H13ClN2O3S2 — CID 110757998

IUPAC5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C12H13ClN2O3S2/c1-3-18-10-6-8(2)11(7-9(10)13)20(16,17)15-12-14-4-5-19-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyPGDHLHHPYZCLAW-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.30
Rot. Bonds5

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

5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110757998) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110757998
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C12H13ClN2O3S2/c1-3-18-10-6-8(2)11(7-9(10)13)20(16,17)15-12-14-4-5-19-12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyPGDHLHHPYZCLAW-UHFFFAOYSA-N
XLogP3.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586086
2-methoxy-4,6-dimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110759565
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 1256461
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 29041502
N-(5-chloro-2-pyridinyl)-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 653931
5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585308
4-[(R)-amino-(2,6-difluorophenyl)methoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602299
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 110757998) is 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2nccs2)cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PGDHLHHPYZCLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-3-18-10-6-8(2)11(7-9(10)13)20(16,17)15-12-14-4-5-19-12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 332.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110757998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).