3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C13H11Cl3N2O2S — CID 43256385

IUPAC3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-2-8(17)4-9(3-7)21(19,20)18-13-6-11(15)10(14)5-12(13)16/h2-6,18H,17H2,1H3
InChIKeyYWDVADQZVSBKCM-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.34
Rot. Bonds3

About 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide

3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 43256385) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID43256385
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-2-8(17)4-9(3-7)21(19,20)18-13-6-11(15)10(14)5-12(13)16/h2-6,18H,17H2,1H3
InChIKeyYWDVADQZVSBKCM-UHFFFAOYSA-N
XLogP4.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256506
3-amino-N-(5-chloro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 43256500
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
3-amino-N-(2-fluoro-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256629
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methylbenzenesulfonamide
CID 107590901
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 43255782
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethylbenzenesulfonamide
CID 60972705

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 43256385) is 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is YWDVADQZVSBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-7-2-8(17)4-9(3-7)21(19,20)18-13-6-11(15)10(14)5-12(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43256385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).