N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H16ClNO4S — CID 113091090

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16ClNO4S/c18-13-3-1-12(2-4-13)17(7-8-17)19-24(20,21)14-5-6-15-16(11-14)23-10-9-22-15/h1-6,11,19H,7-10H2
InChIKeyXDMWJMPYHDUACY-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.08
Rot. Bonds4

About N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 113091090) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID113091090
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16ClNO4S/c18-13-3-1-12(2-4-13)17(7-8-17)19-24(20,21)14-5-6-15-16(11-14)23-10-9-22-15/h1-6,11,19H,7-10H2
InChIKeyXDMWJMPYHDUACY-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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Related Compounds

4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091319
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
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]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
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]furan-2-sulfonamide
CID 138018200
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115903149
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
CID 71900938
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388817
N-[1-(4-chlorophenyl)cyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 46966646
N-[1-(4-chlorophenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 110446037
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110278495

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 113091090) is N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is XDMWJMPYHDUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c18-13-3-1-12(2-4-13)17(7-8-17)19-24(20,21)14-5-6-15-16(11-14)23-10-9-22-15/h1-6,11,19H,7-10H2.
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide 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 N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 113091090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).