2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide

C12H13ClN2O2S2 — CID 106899619

IUPAC2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O2S2/c1-2-9-3-5-10(6-4-9)7-15-19(16,17)11-8-14-12(13)18-11/h3-6,8,15H,2,7H2,1H3
InChIKeyIHCAXHBNVMPDRJ-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 106899619) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID106899619
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C12H13ClN2O2S2/c1-2-9-3-5-10(6-4-9)7-15-19(16,17)11-8-14-12(13)18-11/h3-6,8,15H,2,7H2,1H3
InChIKeyIHCAXHBNVMPDRJ-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 106899619) is 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is IHCAXHBNVMPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-2-9-3-5-10(6-4-9)7-15-19(16,17)11-8-14-12(13)18-11/h3-6,8,15H,2,7H2,1H3.
What are the key properties of 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106899619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).