2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide

C17H15N7O3S — CID 24664110

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N7O3S/c1-23(28(26,27)16-7-5-13(10-18)6-8-16)11-17(25)20-14-3-2-4-15(9-14)24-12-19-21-22-24/h2-9,12H,11H2,1H3,(H,20,25)
InChIKeyWJHRHHUHGVHCEV-UHFFFAOYSA-N
MW397.42 g/mol
LogP0.79
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 24664110) has the molecular formula C17H15N7O3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID24664110
Molecular FormulaC17H15N7O3S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N7O3S/c1-23(28(26,27)16-7-5-13(10-18)6-8-16)11-17(25)20-14-3-2-4-15(9-14)24-12-19-21-22-24/h2-9,12H,11H2,1H3,(H,20,25)
InChIKeyWJHRHHUHGVHCEV-UHFFFAOYSA-N
XLogP0.79
TPSA133.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(dimethylsulfamoyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 8753105
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 30599818
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 55780506
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 46975008
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[methyl-[3-(tetrazol-1-yl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51126990
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 55766018
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709073
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 24664110) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide is CN(CC(=O)Nc1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is WJHRHHUHGVHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3S/c1-23(28(26,27)16-7-5-13(10-18)6-8-16)11-17(25)20-14-3-2-4-15(9-14)24-12-19-21-22-24/h2-9,12H,11H2,1H3,(H,20,25).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 24664110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).