4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide

C22H25N3O4S — CID 56512192

IUPAC4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H25N3O4S/c26-21(17-5-4-6-17)24-13-15-25(16-14-24)22(27)18-9-11-20(12-10-18)30(28,29)23-19-7-2-1-3-8-19/h1-3,7-12,17,23H,4-6,13-16H2
InChIKeySNQLFXYIKVTLFO-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.57
Rot. Bonds5

About 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide

4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide (PubChem CID 56512192) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
PubChem CID56512192
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H25N3O4S/c26-21(17-5-4-6-17)24-13-15-25(16-14-24)22(27)18-9-11-20(12-10-18)30(28,29)23-19-7-2-1-3-8-19/h1-3,7-12,17,23H,4-6,13-16H2
InChIKeySNQLFXYIKVTLFO-UHFFFAOYSA-N
XLogP2.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenylbenzenesulfonamide
CID 7040269
4-[(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 97317013
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
4-(1,4-diazepane-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119415914
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
1-[4-(pyridin-4-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 119349414
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide (CID 56512192) is 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
The InChIKey is SNQLFXYIKVTLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-21(17-5-4-6-17)24-13-15-25(16-14-24)22(27)18-9-11-20(12-10-18)30(28,29)23-19-7-2-1-3-8-19/h1-3,7-12,17,23H,4-6,13-16H2.
What are the key properties of 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide?
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 56512192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).