2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid

C17H16N6O5S — CID 91019018

IUPAC2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C17H16N6O5S/c24-15(19-16-20-22-23-21-16)12-3-7-14(8-4-12)29(27,28)13-5-1-11(2-6-13)9-10-18-17(25)26/h1-8,18H,9-10H2,(H,25,26)(H2,19,20,21,22,23,24)
InChIKeyUASJCLAVUCXGFK-UHFFFAOYSA-N
MW416.42 g/mol
LogP1.09
Rot. Bonds7

About 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid

2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid (PubChem CID 91019018) has the molecular formula C17H16N6O5S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid
PubChem CID91019018
Molecular FormulaC17H16N6O5S
Molecular Weight416.42 g/mol
Exact Mass416.09
IUPAC Name2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C17H16N6O5S/c24-15(19-16-20-22-23-21-16)12-3-7-14(8-4-12)29(27,28)13-5-1-11(2-6-13)9-10-18-17(25)26/h1-8,18H,9-10H2,(H,25,26)(H2,19,20,21,22,23,24)
InChIKeyUASJCLAVUCXGFK-UHFFFAOYSA-N
XLogP1.09
TPSA167.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 166746759
4-[[1-[3,5-bis(trifluoromethyl)anilino]ethenylamino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 142253894
1-[[4-(4-chlorophenyl)sulfonylbenzoyl]amino]-3-(2-phenylethyl)thiourea
CID 11145179
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
CID 70476554
CID 70476554
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
N-[2-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9210483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid (CID 91019018) is 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid is O=C(O)NCCc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid?
The InChIKey is UASJCLAVUCXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O5S/c24-15(19-16-20-22-23-21-16)12-3-7-14(8-4-12)29(27,28)13-5-1-11(2-6-13)9-10-18-17(25)26/h1-8,18H,9-10H2,(H,25,26)(H2,19,20,21,22,23,24).
What are the key properties of 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid?
2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid has a molecular weight of 416.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]sulfonylphenyl]ethylcarbamic acid is sourced from PubChem (CID 91019018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).