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

C8H11Cl2N3O4S2 — CID 114812536

IUPAC3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H11Cl2N3O4S2/c1-2-12-19(16,17)13-8-6(9)3-5(4-7(8)10)18(11,14)15/h3-4,12-13H,2H2,1H3,(H2,11,14,15)
InChIKeyOEHVPQBZFUMEAW-UHFFFAOYSA-N
MW348.23 g/mol
LogP0.91
Rot. Bonds5

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

3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide (PubChem CID 114812536) has the molecular formula C8H11Cl2N3O4S2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
PubChem CID114812536
Molecular FormulaC8H11Cl2N3O4S2
Molecular Weight348.23 g/mol
Exact Mass346.96
IUPAC Name3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H11Cl2N3O4S2/c1-2-12-19(16,17)13-8-6(9)3-5(4-7(8)10)18(11,14)15/h3-4,12-13H,2H2,1H3,(H2,11,14,15)
InChIKeyOEHVPQBZFUMEAW-UHFFFAOYSA-N
XLogP0.91
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
3-bromo-2-N-(ethylsulfamoyl)-5-methylbenzene-1,2-diamine
CID 114804993
2-chloro-4-(ethylsulfamoylamino)phenol
CID 114809196
3-chloro-5-ethyl-4-methylbenzenesulfonamide
CID 174477072
3,5-dichloro-4-(ethylsulfonylamino)benzenesulfonyl chloride
CID 43097505
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide (CID 114812536) is 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide is CCNS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide?
The InChIKey is OEHVPQBZFUMEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O4S2/c1-2-12-19(16,17)13-8-6(9)3-5(4-7(8)10)18(11,14)15/h3-4,12-13H,2H2,1H3,(H2,11,14,15).
What are the key properties of 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide?
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide has a molecular weight of 348.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide is sourced from PubChem (CID 114812536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).