1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine

C17H17ClN6O2S — CID 2084594

IUPAC1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H17ClN6O2S/c18-14-6-8-16(9-7-14)27(25,26)23-12-10-22(11-13-23)17-19-20-21-24(17)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyNMSGKHJTIZXURE-UHFFFAOYSA-N
MW404.88 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 2084594) has the molecular formula C17H17ClN6O2S and a molecular weight of 404.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID2084594
Molecular FormulaC17H17ClN6O2S
Molecular Weight404.88 g/mol
Exact Mass404.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H17ClN6O2S/c18-14-6-8-16(9-7-14)27(25,26)23-12-10-22(11-13-23)17-19-20-21-24(17)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyNMSGKHJTIZXURE-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 55600924
ethyl 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylbenzoate
CID 26451946
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600592
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636451
[4-(difluoromethylsulfonyl)phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55601318
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46439133

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine (CID 2084594) is 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is NMSGKHJTIZXURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2S/c18-14-6-8-16(9-7-14)27(25,26)23-12-10-22(11-13-23)17-19-20-21-24(17)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 404.88 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 2084594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).