2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide

C9H7Cl3N4O3S — CID 83095860

IUPAC2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl3N4O3S/c1-19-9-13-8(14-15-9)16-20(17,18)7-5(11)2-4(10)3-6(7)12/h2-3H,1H3,(H2,13,14,15,16)
InChIKeyNMQVCRYICPWFLK-UHFFFAOYSA-N
MW357.61 g/mol
LogP2.57
Rot. Bonds4

About 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide

2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 83095860) has the molecular formula C9H7Cl3N4O3S and a molecular weight of 357.61 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID83095860
Molecular FormulaC9H7Cl3N4O3S
Molecular Weight357.61 g/mol
Exact Mass355.93
IUPAC Name2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C9H7Cl3N4O3S/c1-19-9-13-8(14-15-9)16-20(17,18)7-5(11)2-4(10)3-6(7)12/h2-3H,1H3,(H2,13,14,15,16)
InChIKeyNMQVCRYICPWFLK-UHFFFAOYSA-N
XLogP2.57
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 921839
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chloro-benzenesulfonamide
CID 11323290
2,4-dichloro-3-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 103088800
N-(5-amino-1,2,4-triazol-3-yl)-2-chlorobenzenesulfonamide
CID 13772885
N-(5-amino-1H-1,2,4-triazol-3-yl)-2,4-dichloro-5-methylbenzenesulfonamide
CID 378471
3-chloro-4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 75398608
3-chloro-2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83083855
4-chloro-2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83100949
2-chloro-4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83101278
2,4-dichloro-3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 103088758
2,4-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-fluorobenzenesulfonamide
CID 103088811
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzenesulfonamide
CID 104818529

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 83095860) is 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is NMQVCRYICPWFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N4O3S/c1-19-9-13-8(14-15-9)16-20(17,18)7-5(11)2-4(10)3-6(7)12/h2-3H,1H3,(H2,13,14,15,16).
What are the key properties of 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 357.61 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 83095860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).