N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide

C20H25N5O6S2 — CID 46407269

IUPACN,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C20H25N5O6S2/c1-24(2)32(28,29)17-6-3-5-16(13-17)20(27)23-22-19(26)15-8-11-25(12-9-15)33(30,31)18-7-4-10-21-14-18/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGBRWIXXDOGMTHO-UHFFFAOYSA-N
MW495.58 g/mol
LogP0.19
Rot. Bonds6

About N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide

N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 46407269) has the molecular formula C20H25N5O6S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID46407269
Molecular FormulaC20H25N5O6S2
Molecular Weight495.58 g/mol
Exact Mass495.12
IUPAC NameN,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C20H25N5O6S2/c1-24(2)32(28,29)17-6-3-5-16(13-17)20(27)23-22-19(26)15-8-11-25(12-9-15)33(30,31)18-7-4-10-21-14-18/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGBRWIXXDOGMTHO-UHFFFAOYSA-N
XLogP0.19
TPSA145.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30892749
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
3-[(cyclohex-3-ene-1-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43001615
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39887346

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 46407269) is N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is GBRWIXXDOGMTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O6S2/c1-24(2)32(28,29)17-6-3-5-16(13-17)20(27)23-22-19(26)15-8-11-25(12-9-15)33(30,31)18-7-4-10-21-14-18/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide?
N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 495.58 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 46407269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).