N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C15H14FN3O2S2 — CID 20947468

IUPACN-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)s2)n[nH]1
InChIInChI=1S/C15H14FN3O2S2/c1-10-8-13(19-18-10)14-6-7-15(22-14)23(20,21)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyDIODUOYVFMUARP-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.06
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947468) has the molecular formula C15H14FN3O2S2 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947468
Molecular FormulaC15H14FN3O2S2
Molecular Weight351.43 g/mol
Exact Mass351.05
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)s2)n[nH]1
InChIInChI=1S/C15H14FN3O2S2/c1-10-8-13(19-18-10)14-6-7-15(22-14)23(20,21)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyDIODUOYVFMUARP-UHFFFAOYSA-N
XLogP3.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947468) is N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)s2)n[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is DIODUOYVFMUARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S2/c1-10-8-13(19-18-10)14-6-7-15(22-14)23(20,21)17-9-11-2-4-12(16)5-3-11/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).