2,3-dichloro-4-phenylmethoxybenzenesulfonamide

C13H11Cl2NO3S — CID 43164582

IUPAC2,3-dichloro-4-phenylmethoxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO3S/c14-12-10(19-8-9-4-2-1-3-5-9)6-7-11(13(12)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyGYICPIULWAJGRJ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.22
Rot. Bonds4

About 2,3-dichloro-4-phenylmethoxybenzenesulfonamide

2,3-dichloro-4-phenylmethoxybenzenesulfonamide (PubChem CID 43164582) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2,3-dichloro-4-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-phenylmethoxybenzenesulfonamide
PubChem CID43164582
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2,3-dichloro-4-phenylmethoxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C13H11Cl2NO3S/c14-12-10(19-8-9-4-2-1-3-5-9)6-7-11(13(12)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyGYICPIULWAJGRJ-UHFFFAOYSA-N
XLogP3.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
2,3-dimethyl-4-phenylmethoxybenzenesulfonamide
CID 43342343
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
5-(2-aminoethyl)-2-phenylmethoxybenzenesulfonamide
CID 18409158
2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
CID 65098440
2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
CID 63191807
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
4-phenylmethoxynaphthalene-1-sulfonyl chloride
CID 45156377
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63036597

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-phenylmethoxybenzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-phenylmethoxybenzenesulfonamide (CID 43164582) is 2,3-dichloro-4-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-phenylmethoxybenzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-phenylmethoxybenzenesulfonamide?
The InChIKey is GYICPIULWAJGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c14-12-10(19-8-9-4-2-1-3-5-9)6-7-11(13(12)15)20(16,17)18/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 2,3-dichloro-4-phenylmethoxybenzenesulfonamide?
2,3-dichloro-4-phenylmethoxybenzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 43164582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).