3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide

C10H9N5O3S — CID 83093723

IUPAC3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C10H9N5O3S/c1-18-10-12-9(13-14-10)15-19(16,17)8-4-2-3-7(5-8)6-11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyCKBCXACSHUTLSY-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.49
Rot. Bonds4

About 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide

3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 83093723) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID83093723
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC Name3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cccc(C#N)c2)n1
InChIInChI=1S/C10H9N5O3S/c1-18-10-12-9(13-14-10)15-19(16,17)8-4-2-3-7(5-8)6-11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyCKBCXACSHUTLSY-UHFFFAOYSA-N
XLogP0.49
TPSA120.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 114166842
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
2-fluoro-5-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]benzoic acid
CID 83096922
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 83101526
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
CID 3790516
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
3-cyano-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 24690798
3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 47066381
3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
CID 170407735

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 83093723) is 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2cccc(C#N)c2)n1.
What is the InChIKey of 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is CKBCXACSHUTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c1-18-10-12-9(13-14-10)15-19(16,17)8-4-2-3-7(5-8)6-11/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 83093723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).