(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

C23H27N7O4S — CID 30936355

IUPAC(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H27N7O4S/c31-23(19-6-8-21(9-7-19)35(32,33)29-14-16-34-17-15-29)28-12-10-27(11-13-28)18-22-24-25-26-30(22)20-4-2-1-3-5-20/h1-9H,10-18H2
InChIKeyAROINDAUJMEULT-UHFFFAOYSA-N
MW497.58 g/mol
LogP0.64
Rot. Bonds6

About (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone

(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 30936355) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID30936355
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H27N7O4S/c31-23(19-6-8-21(9-7-19)35(32,33)29-14-16-34-17-15-29)28-12-10-27(11-13-28)18-22-24-25-26-30(22)20-4-2-1-3-5-20/h1-9H,10-18H2
InChIKeyAROINDAUJMEULT-UHFFFAOYSA-N
XLogP0.64
TPSA113.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185
(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936153
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
(5-methyl-1,2-oxazol-3-yl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30857768
N,N-diethyl-4-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30937931
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
N,N-diethyl-4-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30937292
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 30938779
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896
(3-methylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 37085029
(4-fluorophenyl)-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30858119

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 30936355) is (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is AROINDAUJMEULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c31-23(19-6-8-21(9-7-19)35(32,33)29-14-16-34-17-15-29)28-12-10-27(11-13-28)18-22-24-25-26-30(22)20-4-2-1-3-5-20/h1-9H,10-18H2.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone?
(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 497.58 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30936355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).