1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

C26H30N2O3S — CID 5260685

IUPAC1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O3S/c1-21(2)31-24-13-15-25(16-14-24)32(29,30)28-19-17-27(18-20-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3
InChIKeyZMBRDZHMTPJNOE-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.57
Rot. Bonds7

About 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (PubChem CID 5260685) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
PubChem CID5260685
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O3S/c1-21(2)31-24-13-15-25(16-14-24)32(29,30)28-19-17-27(18-20-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3
InChIKeyZMBRDZHMTPJNOE-UHFFFAOYSA-N
XLogP4.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2920869
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1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine
CID 2868886
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-nitrophenoxy)propanamide
CID 4951331
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
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N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)butanamide
CID 4950124
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-4-(2-methoxyethoxy)benzamide
CID 17353555
4-(4-benzhydrylpiperazin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 25040590
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
7-phenyl-4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192197
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-chlorophenoxy)propanamide
CID 4932144

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (CID 5260685) is 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is CC(C)Oc1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The InChIKey is ZMBRDZHMTPJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-21(2)31-24-13-15-25(16-14-24)32(29,30)28-19-17-27(18-20-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3.
What are the key properties of 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine has a molecular weight of 450.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 5260685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).