N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

C24H32N2O6S3 — CID 24732428

IUPACN-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N(CC2CC2)C2CCN(Cc3ccccc3S(C)(=O)=O)CC2)c1
InChIInChI=1S/C24H32N2O6S3/c1-33(27,28)22-7-5-8-23(16-22)35(31,32)26(17-19-10-11-19)21-12-14-25(15-13-21)18-20-6-3-4-9-24(20)34(2,29)30/h3-9,16,19,21H,10-15,17-18H2,1-2H3
InChIKeyJCUIOERQRKYNDK-UHFFFAOYSA-N
MW540.73 g/mol
LogP2.56
Rot. Bonds9

About N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 24732428) has the molecular formula C24H32N2O6S3 and a molecular weight of 540.73 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID24732428
Molecular FormulaC24H32N2O6S3
Molecular Weight540.73 g/mol
Exact Mass540.14
IUPAC NameN-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)N(CC2CC2)C2CCN(Cc3ccccc3S(C)(=O)=O)CC2)c1
InChIInChI=1S/C24H32N2O6S3/c1-33(27,28)22-7-5-8-23(16-22)35(31,32)26(17-19-10-11-19)21-12-14-25(15-13-21)18-20-6-3-4-9-24(20)34(2,29)30/h3-9,16,19,21H,10-15,17-18H2,1-2H3
InChIKeyJCUIOERQRKYNDK-UHFFFAOYSA-N
XLogP2.56
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.73
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide 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

N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24732550
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-3-methylsulfonylbenzenesulfonamide
CID 24730675
3-tert-butyl-N-(cyclopropylmethyl)-N-piperidin-4-ylbenzenesulfonamide
CID 70645897
N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide
CID 24732571
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 24732704
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 24732581
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24732579
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826080
N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986980

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 24732428) is N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is CS(=O)(=O)c1cccc(S(=O)(=O)N(CC2CC2)C2CCN(Cc3ccccc3S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is JCUIOERQRKYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S3/c1-33(27,28)22-7-5-8-23(16-22)35(31,32)26(17-19-10-11-19)21-12-14-25(15-13-21)18-20-6-3-4-9-24(20)34(2,29)30/h3-9,16,19,21H,10-15,17-18H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 540.73 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 24732428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).