N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

C14H13FN4O2S2 — CID 46209555

IUPACN-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccc(F)cc1)Cc1ncn[nH]1
InChIInChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyUGVZRLMKBSBNEC-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.40
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide

N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (PubChem CID 46209555) has the molecular formula C14H13FN4O2S2 and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
PubChem CID46209555
Molecular FormulaC14H13FN4O2S2
Molecular Weight352.42 g/mol
Exact Mass352.05
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccc(F)cc1)Cc1ncn[nH]1
InChIInChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyUGVZRLMKBSBNEC-UHFFFAOYSA-N
XLogP2.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide (CID 46209555) is N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(Cc1ccc(F)cc1)Cc1ncn[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is UGVZRLMKBSBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S2/c15-12-5-3-11(4-6-12)8-19(9-13-16-10-17-18-13)23(20,21)14-2-1-7-22-14/h1-7,10H,8-9H2,(H,16,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 46209555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).