3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide

C13H12Cl2N2O4S2 — CID 70564740

IUPAC3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-7-2-3-8(23(17,20)21)6-12(7)22(18,19)9-4-10(14)13(16)11(15)5-9/h2-6H,16H2,1H3,(H2,17,20,21)
InChIKeyDAVFDIWGDYXLKC-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.36
Rot. Bonds3

About 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide

3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide (PubChem CID 70564740) has the molecular formula C13H12Cl2N2O4S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
PubChem CID70564740
Molecular FormulaC13H12Cl2N2O4S2
Molecular Weight395.29 g/mol
Exact Mass393.96
IUPAC Name3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-7-2-3-8(23(17,20)21)6-12(7)22(18,19)9-4-10(14)13(16)11(15)5-9/h2-6H,16H2,1H3,(H2,17,20,21)
InChIKeyDAVFDIWGDYXLKC-UHFFFAOYSA-N
XLogP2.36
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565114
3-(4-amino-3-bromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565930
3-(4-amino-2,5-dibromophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70563449
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
3-N,4-dimethylbenzene-1,3-disulfonamide
CID 43363677
3-[4-amino-2-(trifluoromethyl)phenyl]sulfonyl-4-methylbenzenesulfonamide
CID 70564158
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
4-chloro-3-ethylsulfonylbenzenesulfonamide
CID 54596106
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
bis(4-amino-3-chloro-5-methylbenzenesulfonate);nickel(2+)
CID 101303858
N-(4-amino-3,5-dichlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 8538684

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide (CID 70564740) is 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1S(=O)(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
The InChIKey is DAVFDIWGDYXLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S2/c1-7-2-3-8(23(17,20)21)6-12(7)22(18,19)9-4-10(14)13(16)11(15)5-9/h2-6H,16H2,1H3,(H2,17,20,21).
What are the key properties of 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide?
3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide has a molecular weight of 395.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,5-dichlorophenyl)sulfonyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 70564740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).