N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide

C17H18N6O3S — CID 55982018

IUPACN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1C
InChIInChI=1S/C17H18N6O3S/c1-3-27(25,26)20-16-8-7-14(9-12(16)2)19-17(24)13-5-4-6-15(10-13)23-11-18-21-22-23/h4-11,20H,3H2,1-2H3,(H,19,24)
InChIKeyAULOWMAIWKXJCJ-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.98
Rot. Bonds6

About N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide

N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 55982018) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID55982018
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1C
InChIInChI=1S/C17H18N6O3S/c1-3-27(25,26)20-16-8-7-14(9-12(16)2)19-17(24)13-5-4-6-15(10-13)23-11-18-21-22-23/h4-11,20H,3H2,1-2H3,(H,19,24)
InChIKeyAULOWMAIWKXJCJ-UHFFFAOYSA-N
XLogP1.98
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[4-(dimethylsulfamoyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 9494536
4-(benzimidazol-1-yl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948832
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55947686
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
CID 4968506
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide (CID 55982018) is N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1C.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is AULOWMAIWKXJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-3-27(25,26)20-16-8-7-14(9-12(16)2)19-17(24)13-5-4-6-15(10-13)23-11-18-21-22-23/h4-11,20H,3H2,1-2H3,(H,19,24).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide?
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 386.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55982018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).