[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone

C26H26N2O4S — CID 26020417

IUPAC[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N2O4S/c1-19-12-13-20(2)24(18-19)33(31,32)28-16-14-27(15-17-28)26(30)23-11-7-6-10-22(23)25(29)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3
InChIKeyGYUOHMSHUUQKKG-UHFFFAOYSA-N
MW462.57 g/mol
LogP3.68
Rot. Bonds5

About [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone

[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 26020417) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID26020417
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N2O4S/c1-19-12-13-20(2)24(18-19)33(31,32)28-16-14-27(15-17-28)26(30)23-11-7-6-10-22(23)25(29)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3
InChIKeyGYUOHMSHUUQKKG-UHFFFAOYSA-N
XLogP3.68
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
(4-aminophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678550
3-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 16589989
4-(2,5-dimethylphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 6466224
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 24634807
[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 8799910
2H-benzotriazol-5-yl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24535867
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 2608459
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 7661856
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone (CID 26020417) is [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is GYUOHMSHUUQKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-19-12-13-20(2)24(18-19)33(31,32)28-16-14-27(15-17-28)26(30)23-11-7-6-10-22(23)25(29)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3.
What are the key properties of [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone?
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 462.57 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 26020417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).