N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide

C14H10FN7O2S — CID 171348984

IUPACN-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESN#CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1
InChIInChI=1S/C14H10FN7O2S/c15-11-3-4-12(17-7-11)8-22-20-14(19-21-22)10-1-5-13(6-2-10)25(23,24)18-9-16/h1-7,18H,8H2
InChIKeyVGHOJJVCMXSKJU-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.68
Rot. Bonds5

About N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide

N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 171348984) has the molecular formula C14H10FN7O2S and a molecular weight of 359.35 g/mol. Its IUPAC name is N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID171348984
Molecular FormulaC14H10FN7O2S
Molecular Weight359.35 g/mol
Exact Mass359.06
IUPAC NameN-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESN#CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1
InChIInChI=1S/C14H10FN7O2S/c15-11-3-4-12(17-7-11)8-22-20-14(19-21-22)10-1-5-13(6-2-10)25(23,24)18-9-16/h1-7,18H,8H2
InChIKeyVGHOJJVCMXSKJU-UHFFFAOYSA-N
XLogP0.68
TPSA126.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
2-({5-[4-(methylthio)phenyl]-2H-tetrazol-2-yl}methyl)pyridine
CID 712012
4-cyano-N-(pyridin-2-ylmethyl)-N-[4-(2H-tetrazol-5-yl)benzyl]benzenesulfonamide
CID 46891424
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
N'1-imino(2-pyridyl)methyl-2-(trifluoromethyl)benzene-1-sulfonohydrazide
CID 9580413
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
Pyridine-2-carbaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)hydrazone
CID 9579733
CID 118266072
CID 118266072
N-(2-hydroxyethyl)-4-[2-(3-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499675
N-(2-hydroxyethyl)-4-[2-[(6-methyl-2-pyridyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137499684
2,6-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499704

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 171348984) is N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide is N#CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cn3)n2)cc1.
What is the InChIKey of N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is VGHOJJVCMXSKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7O2S/c15-11-3-4-12(17-7-11)8-22-20-14(19-21-22)10-1-5-13(6-2-10)25(23,24)18-9-16/h1-7,18H,8H2.
What are the key properties of N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide?
N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 359.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 171348984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).