1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide

C14H18N2O4S — CID 63744549

IUPAC1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)c2ccc3c(c2)COC3)C1
InChIInChI=1S/C14H18N2O4S/c15-21(18,19)13-2-1-5-16(7-13)14(17)10-3-4-11-8-20-9-12(11)6-10/h3-4,6,13H,1-2,5,7-9H2,(H2,15,18,19)
InChIKeyITYASTLCXMJQSN-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.61
Rot. Bonds2

About 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide

1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide (PubChem CID 63744549) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide
PubChem CID63744549
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)c2ccc3c(c2)COC3)C1
InChIInChI=1S/C14H18N2O4S/c15-21(18,19)13-2-1-5-16(7-13)14(17)10-3-4-11-8-20-9-12(11)6-10/h3-4,6,13H,1-2,5,7-9H2,(H2,15,18,19)
InChIKeyITYASTLCXMJQSN-UHFFFAOYSA-N
XLogP0.61
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366066
(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366065
1,3-dihydro-2-benzofuran-5-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397791
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473926
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
[3-(chloromethyl)pyrrolidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63744725
3-nitro-5-(3-sulfamoylpiperidine-1-carbonyl)benzoic acid
CID 155962765
[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119423730
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
methyl 1-(1,3-dihydro-2-benzofuran-5-carbonyl)pyrrolidine-3-carboxylate
CID 78986505
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
1,3-dihydro-2-benzofuran-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55229921

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide (CID 63744549) is 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)c2ccc3c(c2)COC3)C1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide?
The InChIKey is ITYASTLCXMJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c15-21(18,19)13-2-1-5-16(7-13)14(17)10-3-4-11-8-20-9-12(11)6-10/h3-4,6,13H,1-2,5,7-9H2,(H2,15,18,19).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide?
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 63744549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).