4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide

C15H13N5OS — CID 27309581

IUPAC4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H13N5OS/c16-14(21)12-8-6-11(7-9-12)10-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,21)
InChIKeyYSXBTJDADHGOCD-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.05
Rot. Bonds5

About 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide

4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide (PubChem CID 27309581) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
PubChem CID27309581
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H13N5OS/c16-14(21)12-8-6-11(7-9-12)10-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,21)
InChIKeyYSXBTJDADHGOCD-UHFFFAOYSA-N
XLogP2.05
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
CID 52561620
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]anthracene-9,10-dione
CID 71343927
methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate
CID 726072
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
4-[5-[(2-bromophenyl)methylsulfanyl]tetrazol-1-yl]benzoic acid
CID 1389211
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-2,1,3-benzothiadiazole
CID 836981
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397490
N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377534
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide (CID 27309581) is 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide?
The InChIKey is YSXBTJDADHGOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-14(21)12-8-6-11(7-9-12)10-22-15-17-18-19-20(15)13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,21).
What are the key properties of 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide?
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide has a molecular weight of 311.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 27309581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).