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

C12H13ClN2O4S2 — CID 61051507

IUPAC2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2cnc(Cl)s2)c1
InChIInChI=1S/C12H13ClN2O4S2/c1-18-9-3-4-10(19-2)8(5-9)6-15-21(16,17)11-7-14-12(13)20-11/h3-5,7,15H,6H2,1-2H3
InChIKeyYQUSIWRRYKPSRG-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.29
Rot. Bonds6

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

2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61051507) has the molecular formula C12H13ClN2O4S2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61051507
Molecular FormulaC12H13ClN2O4S2
Molecular Weight348.83 g/mol
Exact Mass348.00
IUPAC Name2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2cnc(Cl)s2)c1
InChIInChI=1S/C12H13ClN2O4S2/c1-18-9-3-4-10(19-2)8(5-9)6-15-21(16,17)11-7-14-12(13)20-11/h3-5,7,15H,6H2,1-2H3
InChIKeyYQUSIWRRYKPSRG-UHFFFAOYSA-N
XLogP2.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3684547
N-[(2,5-dimethoxyphenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380285
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 61051507) is 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide is COc1ccc(OC)c(CNS(=O)(=O)c2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is YQUSIWRRYKPSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4S2/c1-18-9-3-4-10(19-2)8(5-9)6-15-21(16,17)11-7-14-12(13)20-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 348.83 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).