4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine

C20H23N5O4S — CID 23610235

IUPAC4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1
InChIInChI=1S/C20H23N5O4S/c1-15-13-19(7-8-20(15)25-14-21-22-23-25)30(26,27)24-11-9-18(10-12-24)29-17-5-3-16(28-2)4-6-17/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyZUYVIAPHNCKEFR-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.21
Rot. Bonds6

About 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine

4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine (PubChem CID 23610235) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
PubChem CID23610235
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC Name4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1
InChIInChI=1S/C20H23N5O4S/c1-15-13-19(7-8-20(15)25-14-21-22-23-25)30(26,27)24-11-9-18(10-12-24)29-17-5-3-16(28-2)4-6-17/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyZUYVIAPHNCKEFR-UHFFFAOYSA-N
XLogP2.21
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045
1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide
CID 24668840
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 51687107
1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1435642
N,N-dimethyl-4-[4-(tetrazol-1-yl)phenoxy]piperidine-1-sulfonamide
CID 46262720
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine (CID 23610235) is 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine is COc1ccc(OC2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
The InChIKey is ZUYVIAPHNCKEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-15-13-19(7-8-20(15)25-14-21-22-23-25)30(26,27)24-11-9-18(10-12-24)29-17-5-3-16(28-2)4-6-17/h3-8,13-14,18H,9-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine has a molecular weight of 429.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 23610235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).