3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide

C7H8Cl2N2O4S2 — CID 43134231

IUPAC3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C7H8Cl2N2O4S2/c1-16(12,13)11-7-5(8)2-4(3-6(7)9)17(10,14)15/h2-3,11H,1H3,(H2,10,14,15)
InChIKeyRTARNZVEGLWJKL-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.01
Rot. Bonds3

About 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide

3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 43134231) has the molecular formula C7H8Cl2N2O4S2 and a molecular weight of 319.19 g/mol. Its IUPAC name is 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
PubChem CID43134231
Molecular FormulaC7H8Cl2N2O4S2
Molecular Weight319.19 g/mol
Exact Mass317.93
IUPAC Name3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C7H8Cl2N2O4S2/c1-16(12,13)11-7-5(8)2-4(3-6(7)9)17(10,14)15/h2-3,11H,1H3,(H2,10,14,15)
InChIKeyRTARNZVEGLWJKL-UHFFFAOYSA-N
XLogP1.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
N-(2-amino-4,6-dichlorophenyl)methanesulfonamide
CID 16774025
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272
3,5-dichloro-4-[[5-(2,6-dichloro-4-sulfamoylanilino)-1,3,4-thiadiazol-2-yl]amino]benzenesulfonamide
CID 10530975
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
3,4-dibromo-5-chlorobenzenesulfonamide
CID 171008956
N-(2-amino-4,6-dibromophenyl)methanesulfonamide
CID 43550705
3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
CID 82843552

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide (CID 43134231) is 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is RTARNZVEGLWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O4S2/c1-16(12,13)11-7-5(8)2-4(3-6(7)9)17(10,14)15/h2-3,11H,1H3,(H2,10,14,15).
What are the key properties of 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide?
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 319.19 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 43134231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).