3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide

C11H13ClN4O4S — CID 104818556

IUPAC3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C11H13ClN4O4S/c1-3-20-11-13-10(14-15-11)16-21(17,18)7-4-5-9(19-2)8(12)6-7/h4-6H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyLJNGTYCRODUBDI-UHFFFAOYSA-N
MW332.77 g/mol
LogP1.67
Rot. Bonds6

About 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 104818556) has the molecular formula C11H13ClN4O4S and a molecular weight of 332.77 g/mol. Its IUPAC name is 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID104818556
Molecular FormulaC11H13ClN4O4S
Molecular Weight332.77 g/mol
Exact Mass332.03
IUPAC Name3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
SMILESCCOc1n[nH]c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C11H13ClN4O4S/c1-3-20-11-13-10(14-15-11)16-21(17,18)7-4-5-9(19-2)8(12)6-7/h4-6H,3H2,1-2H3,(H2,13,14,15,16)
InChIKeyLJNGTYCRODUBDI-UHFFFAOYSA-N
XLogP1.67
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-fluorobenzenesulfonamide
CID 104818665
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridine-3-sulfonamide
CID 113456582
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 113456578
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide (CID 104818556) is 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide is CCOc1n[nH]c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is LJNGTYCRODUBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4S/c1-3-20-11-13-10(14-15-11)16-21(17,18)7-4-5-9(19-2)8(12)6-7/h4-6H,3H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 332.77 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 104818556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).