N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

C14H12FN5O2S — CID 23607719

IUPACN-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H12FN5O2S/c15-12-3-1-11(2-4-12)9-17-23(21,22)14-7-5-13(6-8-14)20-10-16-18-19-20/h1-8,10,17H,9H2
InChIKeyUMLUAUUXNUNHIK-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.28
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide

N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 23607719) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID23607719
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H12FN5O2S/c15-12-3-1-11(2-4-12)9-17-23(21,22)14-7-5-13(6-8-14)20-10-16-18-19-20/h1-8,10,17H,9H2
InChIKeyUMLUAUUXNUNHIK-UHFFFAOYSA-N
XLogP1.28
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 23607719) is N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is UMLUAUUXNUNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c15-12-3-1-11(2-4-12)9-17-23(21,22)14-7-5-13(6-8-14)20-10-16-18-19-20/h1-8,10,17H,9H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 23607719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).