3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide

C17H14Cl2N6O2S — CID 5275186

IUPAC3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N6O2S/c1-9-2-5-14(12(19)6-9)25-17(22-23-24-25)28-8-15(26)21-13-4-3-10(16(20)27)7-11(13)18/h2-7H,8H2,1H3,(H2,20,27)(H,21,26)
InChIKeyOWRVLOSMWSSHAX-UHFFFAOYSA-N
MW437.31 g/mol
LogP3.11
Rot. Bonds6

About 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide

3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide (PubChem CID 5275186) has the molecular formula C17H14Cl2N6O2S and a molecular weight of 437.31 g/mol. Its IUPAC name is 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
PubChem CID5275186
Molecular FormulaC17H14Cl2N6O2S
Molecular Weight437.31 g/mol
Exact Mass436.03
IUPAC Name3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N6O2S/c1-9-2-5-14(12(19)6-9)25-17(22-23-24-25)28-8-15(26)21-13-4-3-10(16(20)27)7-11(13)18/h2-7H,8H2,1H3,(H2,20,27)(H,21,26)
InChIKeyOWRVLOSMWSSHAX-UHFFFAOYSA-N
XLogP3.11
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5275184
N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7474172
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 3626261
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
3-methyl-4-[[2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 15956702
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 16509696
N-(2-chloro-5-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11574920
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 9274229
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
4-[[2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8691758
N-(4-bromo-2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571050
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 2601871

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide (CID 5275186) is 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is OWRVLOSMWSSHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N6O2S/c1-9-2-5-14(12(19)6-9)25-17(22-23-24-25)28-8-15(26)21-13-4-3-10(16(20)27)7-11(13)18/h2-7H,8H2,1H3,(H2,20,27)(H,21,26).
What are the key properties of 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 437.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 5275186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).