N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

C16H14FN5OS — CID 977269

IUPACN-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCn1nnnc1SCc1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H14FN5OS/c1-22-16(19-20-21-22)24-10-11-6-8-12(9-7-11)15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyRJSPEKAFZFQKQR-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.89
Rot. Bonds5

About N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (PubChem CID 977269) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
PubChem CID977269
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCn1nnnc1SCc1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H14FN5OS/c1-22-16(19-20-21-22)24-10-11-6-8-12(9-7-11)15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23)
InChIKeyRJSPEKAFZFQKQR-UHFFFAOYSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[2-(2-Fluoroanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1330757
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
2-[[2-(1-Methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 973679
4-(5-Phenylcarbamoylmethylsulfanyl-tetrazol-1-yl)-benzamide
CID 1071312
4-[5-[(4-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 661053
N-(4-methylphenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzamide
CID 851613
N-(4-bromophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 980277
N-(5-chloro-2-methylphenyl)-4-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}benzamide
CID 980320
4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(2-fluorophenyl)benzamide
CID 1292135
N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2086004
N-[(4-methylphenyl)methyl]-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2106059
N-cyclopropyl-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2630325

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (CID 977269) is N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is Cn1nnnc1SCc1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The InChIKey is RJSPEKAFZFQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-22-16(19-20-21-22)24-10-11-6-8-12(9-7-11)15(23)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 977269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).