N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H20N2O5S — CID 2704625

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N2O5S/c22-19(20-15-5-8-17-18(13-15)26-12-11-25-17)14-3-6-16(7-4-14)27(23,24)21-9-1-2-10-21/h3-8,13H,1-2,9-12H2,(H,20,22)
InChIKeyPXKWYRYGFNLFMM-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.49
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2704625) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2704625
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H20N2O5S/c22-19(20-15-5-8-17-18(13-15)26-12-11-25-17)14-3-6-16(7-4-14)27(23,24)21-9-1-2-10-21/h3-8,13H,1-2,9-12H2,(H,20,22)
InChIKeyPXKWYRYGFNLFMM-UHFFFAOYSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878
3-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1202069
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704617
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 28590362
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16527357
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 1432051
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2704625) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PXKWYRYGFNLFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-19(20-15-5-8-17-18(13-15)26-12-11-25-17)14-3-6-16(7-4-14)27(23,24)21-9-1-2-10-21/h3-8,13H,1-2,9-12H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2704625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).