5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide

C22H26N2O5S2 — CID 57430376

IUPAC5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H26N2O5S2/c1-16-7-10-20(30(26,27)19-5-3-2-4-6-19)15-21(16)31(28,29)23-18-11-13-24(14-12-18)22(25)17-8-9-17/h2-7,10,15,17-18,23H,8-9,11-14H2,1H3
InChIKeyVIAQCOXTJJMMJY-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.51
Rot. Bonds6

About 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide

5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide (PubChem CID 57430376) has the molecular formula C22H26N2O5S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide
PubChem CID57430376
Molecular FormulaC22H26N2O5S2
Molecular Weight462.59 g/mol
Exact Mass462.13
IUPAC Name5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H26N2O5S2/c1-16-7-10-20(30(26,27)19-5-3-2-4-6-19)15-21(16)31(28,29)23-18-11-13-24(14-12-18)22(25)17-8-9-17/h2-7,10,15,17-18,23H,8-9,11-14H2,1H3
InChIKeyVIAQCOXTJJMMJY-UHFFFAOYSA-N
XLogP2.51
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzenesulfonyl)-N-[1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 25187115
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 67393705
5-(benzenesulfonyl)-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-propan-2-ylbenzenesulfonamide
CID 57430598
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 46540127
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
5-(4-tert-butylphenyl)sulfonyl-2-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 57430364
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46450682
2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
CID 110822198

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide (CID 57430376) is 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide?
The InChIKey is VIAQCOXTJJMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S2/c1-16-7-10-20(30(26,27)19-5-3-2-4-6-19)15-21(16)31(28,29)23-18-11-13-24(14-12-18)22(25)17-8-9-17/h2-7,10,15,17-18,23H,8-9,11-14H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide?
5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide has a molecular weight of 462.59 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 57430376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).