2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C13H11Cl3N2O2S — CID 62149038

IUPAC2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-17-11-4-2-3-5-13(11)21(19,20)18-12-7-9(15)8(14)6-10(12)16/h2-7,17-18H,1H3
InChIKeyZCWBHZRODVWDJH-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.49
Rot. Bonds4

About 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide

2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 62149038) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID62149038
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-17-11-4-2-3-5-13(11)21(19,20)18-12-7-9(15)8(14)6-10(12)16/h2-7,17-18H,1H3
InChIKeyZCWBHZRODVWDJH-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
N-(2,3-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62146722
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
N-[4,5-dichloro-2-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101217
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
N-(1,3-dimethylpyrazol-4-yl)-2-(methylamino)benzenesulfonamide
CID 102807205
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
N-(2-bromo-4,6-difluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62142695

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 62149038) is 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide is CNc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is ZCWBHZRODVWDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-17-11-4-2-3-5-13(11)21(19,20)18-12-7-9(15)8(14)6-10(12)16/h2-7,17-18H,1H3.
What are the key properties of 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 62149038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).