3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide

C12H10Cl2N2O4S2 — CID 47060111

IUPAC3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O4S2/c13-8-5-9(14)7-10(6-8)22(19,20)16-11-3-1-2-4-12(11)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChIKeyKSJYEUVHDSPPCP-UHFFFAOYSA-N
MW381.26 g/mol
LogP2.44
Rot. Bonds4

About 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide

3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide (PubChem CID 47060111) has the molecular formula C12H10Cl2N2O4S2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
PubChem CID47060111
Molecular FormulaC12H10Cl2N2O4S2
Molecular Weight381.26 g/mol
Exact Mass379.95
IUPAC Name3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O4S2/c13-8-5-9(14)7-10(6-8)22(19,20)16-11-3-1-2-4-12(11)21(15,17)18/h1-7,16H,(H2,15,17,18)
InChIKeyKSJYEUVHDSPPCP-UHFFFAOYSA-N
XLogP2.44
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3,4-difluoro-N-(2-sulfamoylphenyl)benzenesulfonamide
CID 75526090
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
3-chloro-N-(2-sulfamoylphenyl)thiophene-2-sulfonamide
CID 174608242
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
CID 159593175
N-(3-amino-2,4-dimethylphenyl)-3,5-dichlorobenzenesulfonamide
CID 60971852
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
2-[[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
CID 68782370

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide (CID 47060111) is 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is KSJYEUVHDSPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S2/c13-8-5-9(14)7-10(6-8)22(19,20)16-11-3-1-2-4-12(11)21(15,17)18/h1-7,16H,(H2,15,17,18).
What are the key properties of 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide?
3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 381.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 47060111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).