4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide

C13H17N3O4S — CID 62199773

IUPAC4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H17N3O4S/c14-21(18,19)16-6-4-15(5-7-16)13(17)11-1-2-12-10(9-11)3-8-20-12/h1-2,9H,3-8H2,(H2,14,18,19)
InChIKeyQUNXDVDMDDPOPF-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.42
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide

4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide (PubChem CID 62199773) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
PubChem CID62199773
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H17N3O4S/c14-21(18,19)16-6-4-15(5-7-16)13(17)11-1-2-12-10(9-11)3-8-20-12/h1-2,9H,3-8H2,(H2,14,18,19)
InChIKeyQUNXDVDMDDPOPF-UHFFFAOYSA-N
XLogP-0.42
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 110805144
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
2,3-dihydro-1-benzofuran-5-yl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810264
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 110814917
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
2,3-dihydro-1-benzofuran-5-yl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 39634509
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
2,3-dihydro-1-benzofuran-5-yl-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816782
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 37439719
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161128

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide (CID 62199773) is 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide?
The InChIKey is QUNXDVDMDDPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c14-21(18,19)16-6-4-15(5-7-16)13(17)11-1-2-12-10(9-11)3-8-20-12/h1-2,9H,3-8H2,(H2,14,18,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide?
4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62199773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).