2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C15H14N6O3S2 — CID 5165692

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H14N6O3S2/c16-26(23,24)13-8-4-5-11(9-13)17-14(22)10-25-15-18-19-20-21(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,22)(H2,16,23,24)
InChIKeyIKVMKUQYXIGGEA-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.04
Rot. Bonds6

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 5165692) has the molecular formula C15H14N6O3S2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID5165692
Molecular FormulaC15H14N6O3S2
Molecular Weight390.45 g/mol
Exact Mass390.06
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C15H14N6O3S2/c16-26(23,24)13-8-4-5-11(9-13)17-14(22)10-25-15-18-19-20-21(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,22)(H2,16,23,24)
InChIKeyIKVMKUQYXIGGEA-UHFFFAOYSA-N
XLogP1.04
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4878909
N-[3-(dimethylsulfamoyl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5226377
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16294091
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4561207
N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11697734

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 5165692) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is NS(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is IKVMKUQYXIGGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S2/c16-26(23,24)13-8-4-5-11(9-13)17-14(22)10-25-15-18-19-20-21(15)12-6-2-1-3-7-12/h1-9H,10H2,(H,17,22)(H2,16,23,24).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 390.45 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5165692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).