N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide

C20H22N4O4S — CID 131948129

IUPACN-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)NC1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C20H22N4O4S/c1-15-7-8-17(24-11-4-9-21-24)13-19(15)29(26,27)22-16-5-2-10-23(14-16)20(25)18-6-3-12-28-18/h3-4,6-9,11-13,16,22H,2,5,10,14H2,1H3
InChIKeyDWSHEWDGXKOHOU-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide

N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide (PubChem CID 131948129) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
PubChem CID131948129
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)NC1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C20H22N4O4S/c1-15-7-8-17(24-11-4-9-21-24)13-19(15)29(26,27)22-16-5-2-10-23(14-16)20(25)18-6-3-12-28-18/h3-4,6-9,11-13,16,22H,2,5,10,14H2,1H3
InChIKeyDWSHEWDGXKOHOU-UHFFFAOYSA-N
XLogP2.36
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
furan-2-yl-[3-[[4-(methylamino)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 50962643
[3-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 134697643
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide
CID 131924296
2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
CID 131938790
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
[(3S)-3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95719033
1-(2,4-difluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 131914213
N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74247026

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide (CID 131948129) is N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(-n2cccn2)cc1S(=O)(=O)NC1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DWSHEWDGXKOHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-15-7-8-17(24-11-4-9-21-24)13-19(15)29(26,27)22-16-5-2-10-23(14-16)20(25)18-6-3-12-28-18/h3-4,6-9,11-13,16,22H,2,5,10,14H2,1H3.
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide?
N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 414.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-methyl-5-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 131948129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).