N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide

C13H19N3O3S — CID 61252197

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc2O1)N1CCNCC1
InChIInChI=1S/C13H19N3O3S/c17-20(18,16-7-5-14-6-8-16)15-10-12-9-11-3-1-2-4-13(11)19-12/h1-4,12,14-15H,5-10H2
InChIKeyUPIJCGMGMDUKGR-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.27
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide (PubChem CID 61252197) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
PubChem CID61252197
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc2O1)N1CCNCC1
InChIInChI=1S/C13H19N3O3S/c17-20(18,16-7-5-14-6-8-16)15-10-12-9-11-3-1-2-4-13(11)19-12/h1-4,12,14-15H,5-10H2
InChIKeyUPIJCGMGMDUKGR-UHFFFAOYSA-N
XLogP-0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-2-piperazin-1-ylacetamide
CID 62233747
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(ethylamino)ethanesulfonamide
CID 55052878
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
CID 63978130
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
CID 61252712
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 55627703

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide (CID 61252197) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide is O=S(=O)(NCC1Cc2ccccc2O1)N1CCNCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is UPIJCGMGMDUKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-20(18,16-7-5-14-6-8-16)15-10-12-9-11-3-1-2-4-13(11)19-12/h1-4,12,14-15H,5-10H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).