6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

C14H11BrClNO4S — CID 48927193

IUPAC6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C14H11BrClNO4S/c15-11-7-12-13(21-6-5-20-12)8-14(11)22(18,19)17-10-3-1-9(16)2-4-10/h1-4,7-8,17H,5-6H2
InChIKeyHQEPVVPXDQJWGW-UHFFFAOYSA-N
MW404.67 g/mol
LogP3.67
Rot. Bonds3

About 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (PubChem CID 48927193) has the molecular formula C14H11BrClNO4S and a molecular weight of 404.67 g/mol. Its IUPAC name is 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
PubChem CID48927193
Molecular FormulaC14H11BrClNO4S
Molecular Weight404.67 g/mol
Exact Mass402.93
IUPAC Name6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C14H11BrClNO4S/c15-11-7-12-13(21-6-5-20-12)8-14(11)22(18,19)17-10-3-1-9(16)2-4-10/h1-4,7-8,17H,5-6H2
InChIKeyHQEPVVPXDQJWGW-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.67
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605154
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-chloro-2-(trifluoromethyl)benzenesulfonamide
CID 2474429
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide
CID 581191
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The IUPAC name of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (CID 48927193) is 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.
What is the SMILES notation for 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The canonical SMILES for 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The InChIKey is HQEPVVPXDQJWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO4S/c15-11-7-12-13(21-6-5-20-12)8-14(11)22(18,19)17-10-3-1-9(16)2-4-10/h1-4,7-8,17H,5-6H2.
What are the key properties of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide has a molecular weight of 404.67 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is sourced from PubChem (CID 48927193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).