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

C17H16ClNO4S — CID 113091319

IUPAC4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO4S/c18-13-2-4-14(5-3-13)24(20,21)19-17(7-8-17)12-1-6-15-16(11-12)23-10-9-22-15/h1-6,11,19H,7-10H2
InChIKeyMCXXXXZZSSFPFE-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.08
Rot. Bonds4

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

4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide (PubChem CID 113091319) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
PubChem CID113091319
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO4S/c18-13-2-4-14(5-3-13)24(20,21)19-17(7-8-17)12-1-6-15-16(11-12)23-10-9-22-15/h1-6,11,19H,7-10H2
InChIKeyMCXXXXZZSSFPFE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091090
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091359
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide
CID 138018200
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
CID 71900938
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
CID 113091335
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide
CID 167769834
N-[1-(4-chlorophenyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46966635
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide (CID 113091319) is 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide is O=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
The InChIKey is MCXXXXZZSSFPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c18-13-2-4-14(5-3-13)24(20,21)19-17(7-8-17)12-1-6-15-16(11-12)23-10-9-22-15/h1-6,11,19H,7-10H2.
What are the key properties of 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide?
4-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 4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 113091319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).