N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide

C17H20N2O4S — CID 95296015

IUPACN-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
SMILESCc1occc1C(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H20N2O4S/c1-13-16(9-11-23-13)17(20)19-10-5-6-14(12-19)18-24(21,22)15-7-3-2-4-8-15/h2-4,7-9,11,14,18H,5-6,10,12H2,1H3/t14-/m0/s1
InChIKeyYOLOYWXDQYGRHF-AWEZNQCLSA-N
MW348.42 g/mol
LogP2.17
Rot. Bonds4

About N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide

N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide (PubChem CID 95296015) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
PubChem CID95296015
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide
SMILESCc1occc1C(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H20N2O4S/c1-13-16(9-11-23-13)17(20)19-10-5-6-14(12-19)18-24(21,22)15-7-3-2-4-8-15/h2-4,7-9,11,14,18H,5-6,10,12H2,1H3/t14-/m0/s1
InChIKeyYOLOYWXDQYGRHF-AWEZNQCLSA-N
XLogP2.17
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]benzenesulfonamide
CID 95297567
N-[(3R)-1-(2-ethoxyacetyl)piperidin-3-yl]benzenesulfonamide
CID 95331654
N-[1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 56801932
N-[(3S)-1-(4-methoxybutanoyl)piperidin-3-yl]benzenesulfonamide
CID 95599233
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
[3-(benzenesulfonylmethyl)furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491565
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
N-[(3S)-1-ethylsulfonylpiperidin-3-yl]benzenesulfonamide
CID 95310247
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide (CID 95296015) is N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide is Cc1occc1C(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide?
The InChIKey is YOLOYWXDQYGRHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-16(9-11-23-13)17(20)19-10-5-6-14(12-19)18-24(21,22)15-7-3-2-4-8-15/h2-4,7-9,11,14,18H,5-6,10,12H2,1H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide?
N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95296015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).