2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

C9H10Cl2N4O2S2 — CID 64511324

IUPAC2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C9H10Cl2N4O2S2/c1-5-12-8(14-13-5)4-15(2)19(16,17)6-3-7(10)18-9(6)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeySFYZFWMRXDDWJF-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.30
Rot. Bonds4

About 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide

2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 64511324) has the molecular formula C9H10Cl2N4O2S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID64511324
Molecular FormulaC9H10Cl2N4O2S2
Molecular Weight341.25 g/mol
Exact Mass339.96
IUPAC Name2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C9H10Cl2N4O2S2/c1-5-12-8(14-13-5)4-15(2)19(16,17)6-3-7(10)18-9(6)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeySFYZFWMRXDDWJF-UHFFFAOYSA-N
XLogP2.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide (CID 64511324) is 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is SFYZFWMRXDDWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O2S2/c1-5-12-8(14-13-5)4-15(2)19(16,17)6-3-7(10)18-9(6)11/h3H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide?
2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 341.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 64511324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).