4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

C11H11ClN6O2S — CID 864615

IUPAC4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20)
InChIKeyTZOIJRMVPBRMCG-UHFFFAOYSA-N
MW326.77 g/mol
LogP0.42
Rot. Bonds4

About 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (PubChem CID 864615) has the molecular formula C11H11ClN6O2S and a molecular weight of 326.77 g/mol. Its IUPAC name is 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
PubChem CID864615
Molecular FormulaC11H11ClN6O2S
Molecular Weight326.77 g/mol
Exact Mass326.04
IUPAC Name4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20)
InChIKeyTZOIJRMVPBRMCG-UHFFFAOYSA-N
XLogP0.42
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-N-[1,2,4]triazol-4-yl-benzamide
CID 814676
N'-[(4-bromophenyl)carbonyl]-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetohydrazide
CID 1139988
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 7760211
N,N-dimethylformamide;4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 16196117
4-chloro-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 2515041
4-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 3662906
5-chloro-2-fluoro-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}benzamide
CID 91766536
4-chloro-N'-[2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 3907265
N'-[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-4-chlorobenzohydrazide
CID 7845379
2-fluoro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
CID 8021921
4-Fluoro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzohydrazide
CID 107459058
4-chloro-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]benzohydrazide
CID 793882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (CID 864615) is 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is Cn1nnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is TZOIJRMVPBRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O2S/c1-18-11(15-16-17-18)21-6-9(19)13-14-10(20)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,19)(H,14,20).
What are the key properties of 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 326.77 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 864615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).