2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide

C17H16ClNO4S — CID 113091359

IUPAC2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl
InChIInChI=1S/C17H16ClNO4S/c18-13-3-1-2-4-16(13)24(20,21)19-17(7-8-17)12-5-6-14-15(11-12)23-10-9-22-14/h1-6,11,19H,7-10H2
InChIKeyOYIFGBKRHKPHSG-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide

2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide (PubChem CID 113091359) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
PubChem CID113091359
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl
InChIInChI=1S/C17H16ClNO4S/c18-13-3-1-2-4-16(13)24(20,21)19-17(7-8-17)12-5-6-14-15(11-12)23-10-9-22-14/h1-6,11,19H,7-10H2
InChIKeyOYIFGBKRHKPHSG-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide (CID 113091359) is 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
The InChIKey is OYIFGBKRHKPHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c18-13-3-1-2-4-16(13)24(20,21)19-17(7-8-17)12-5-6-14-15(11-12)23-10-9-22-14/h1-6,11,19H,7-10H2.
What are the key properties of 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide has a molecular weight of 365.84 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 113091359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).