1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

C19H21ClN6O2S — CID 1435642

IUPAC1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C19H21ClN6O2S/c1-15-12-18(6-7-19(15)26-14-21-22-23-26)29(27,28)25-10-8-24(9-11-25)13-16-2-4-17(20)5-3-16/h2-7,12,14H,8-11,13H2,1H3
InChIKeyRNHBFHJKYLEBKM-UHFFFAOYSA-N
MW432.94 g/mol
LogP2.13
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine

1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (PubChem CID 1435642) has the molecular formula C19H21ClN6O2S and a molecular weight of 432.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
PubChem CID1435642
Molecular FormulaC19H21ClN6O2S
Molecular Weight432.94 g/mol
Exact Mass432.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C19H21ClN6O2S/c1-15-12-18(6-7-19(15)26-14-21-22-23-26)29(27,28)25-10-8-24(9-11-25)13-16-2-4-17(20)5-3-16/h2-7,12,14H,8-11,13H2,1H3
InChIKeyRNHBFHJKYLEBKM-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.94
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methylsulfonyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 23610585
1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 37498144
1-(3-methoxyphenyl)-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442045
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 23610235
ethyl 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 26945193
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
N-[(4-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177054
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 6985976
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1442048
3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 18382106

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine (CID 1435642) is 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-n1cnnn1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
The InChIKey is RNHBFHJKYLEBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2S/c1-15-12-18(6-7-19(15)26-14-21-22-23-26)29(27,28)25-10-8-24(9-11-25)13-16-2-4-17(20)5-3-16/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine?
1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine has a molecular weight of 432.94 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 1435642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).