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

C14H15N5O2S2 — CID 166197327

IUPAC4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)sc1C
InChIInChI=1S/C14H15N5O2S2/c1-9-4-13(22-10(9)2)23(20,21)18-12-5-11(6-15-7-12)14-17-16-8-19(14)3/h4-8,18H,1-3H3
InChIKeyOLZXMIKMVRJRJT-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.36
Rot. Bonds4

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

4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 166197327) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID166197327
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)sc1C
InChIInChI=1S/C14H15N5O2S2/c1-9-4-13(22-10(9)2)23(20,21)18-12-5-11(6-15-7-12)14-17-16-8-19(14)3/h4-8,18H,1-3H3
InChIKeyOLZXMIKMVRJRJT-UHFFFAOYSA-N
XLogP2.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide (CID 166197327) is 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is OLZXMIKMVRJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-9-4-13(22-10(9)2)23(20,21)18-12-5-11(6-15-7-12)14-17-16-8-19(14)3/h4-8,18H,1-3H3.
What are the key properties of 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide?
4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166197327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).