N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C19H21N7O3S — CID 1455267

IUPACN-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N7O3S/c1-15(27)20-16-7-9-18(10-8-16)30(28,29)25-13-11-24(12-14-25)19-21-22-23-26(19)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,27)
InChIKeyBBDYGCSMKBSQPU-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.13
Rot. Bonds5

About N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 1455267) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID1455267
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC NameN-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N7O3S/c1-15(27)20-16-7-9-18(10-8-16)30(28,29)25-13-11-24(12-14-25)19-21-22-23-26(19)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,27)
InChIKeyBBDYGCSMKBSQPU-UHFFFAOYSA-N
XLogP1.13
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-Phenyl-piperazin-1-yl)-[1-(4-tetrazol-1-yl-benzenesulfonyl)-piperidin-4-yl]-methanone
CID 646218
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid isobutyl-amide
CID 648370
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (3-methyl-butyl)-amide
CID 1452407
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (2-methyl-cyclohexyl)-amide
CID 3213006
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid (2-fluoro-phenyl)-amide
CID 3214830
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid (4-acetylamino-phenyl)-amide
CID 3215998
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
1-[4-Anilino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(4-sulfamoylphenyl)urea
CID 155554840
1-[5-Amino-1-(4-sulfamoylphenyl)-1,2,4-triazol-3-yl]-3-phenylurea
CID 155557925
1-[4-(Tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 4278096
N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
CID 4839349

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 1455267) is N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is BBDYGCSMKBSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3S/c1-15(27)20-16-7-9-18(10-8-16)30(28,29)25-13-11-24(12-14-25)19-21-22-23-26(19)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,20,27).
What are the key properties of N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 1455267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).