3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide

C9H9Cl2N5O2S — CID 14255271

IUPAC3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCN(c1c(Cl)cccc1Cl)S(=O)(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H9Cl2N5O2S/c1-16(7-5(10)3-2-4-6(7)11)19(17,18)9-13-8(12)14-15-9/h2-4H,1H3,(H3,12,13,14,15)
InChIKeyDQVDVDQPVQNMCA-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide

3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide (PubChem CID 14255271) has the molecular formula C9H9Cl2N5O2S and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide
PubChem CID14255271
Molecular FormulaC9H9Cl2N5O2S
Molecular Weight322.18 g/mol
Exact Mass320.99
IUPAC Name3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide
SMILESCN(c1c(Cl)cccc1Cl)S(=O)(=O)c1nc(N)n[nH]1
InChIInChI=1S/C9H9Cl2N5O2S/c1-16(7-5(10)3-2-4-6(7)11)19(17,18)9-13-8(12)14-15-9/h2-4H,1H3,(H3,12,13,14,15)
InChIKeyDQVDVDQPVQNMCA-UHFFFAOYSA-N
XLogP1.52
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
The IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide (CID 14255271) is 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
The canonical SMILES for 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide is CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
The InChIKey is DQVDVDQPVQNMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5O2S/c1-16(7-5(10)3-2-4-6(7)11)19(17,18)9-13-8(12)14-15-9/h2-4H,1H3,(H3,12,13,14,15).
What are the key properties of 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide?
3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide has a molecular weight of 322.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dichlorophenyl)-N-methyl-1H-1,2,4-triazole-5-sulfonamide is sourced from PubChem (CID 14255271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).