5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C10H11ClN4O3S — CID 66486115

IUPAC5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H11ClN4O3S/c1-6-3-8(18-2)9(4-7(6)11)19(16,17)15-10-12-5-13-14-10/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyPAUKMJXXSXTIJY-UHFFFAOYSA-N
MW302.74 g/mol
LogP1.58
Rot. Bonds4

About 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 66486115) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID66486115
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H11ClN4O3S/c1-6-3-8(18-2)9(4-7(6)11)19(16,17)15-10-12-5-13-14-10/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyPAUKMJXXSXTIJY-UHFFFAOYSA-N
XLogP1.58
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 66486115) is 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is PAUKMJXXSXTIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c1-6-3-8(18-2)9(4-7(6)11)19(16,17)15-10-12-5-13-14-10/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 302.74 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 66486115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).