2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide

C14H13Cl3N2O2S — CID 22774991

IUPAC2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H13Cl3N2O2S/c1-19(2)10-5-3-9(4-6-10)18-22(20,21)14-8-12(16)11(15)7-13(14)17/h3-8,18H,1-2H3
InChIKeyHCYRWSBMYBSGJT-UHFFFAOYSA-N
MW379.70 g/mol
LogP4.51
Rot. Bonds4

About 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide

2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (PubChem CID 22774991) has the molecular formula C14H13Cl3N2O2S and a molecular weight of 379.70 g/mol. Its IUPAC name is 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
PubChem CID22774991
Molecular FormulaC14H13Cl3N2O2S
Molecular Weight379.70 g/mol
Exact Mass377.98
IUPAC Name2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H13Cl3N2O2S/c1-19(2)10-5-3-9(4-6-10)18-22(20,21)14-8-12(16)11(15)7-13(14)17/h3-8,18H,1-2H3
InChIKeyHCYRWSBMYBSGJT-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.70
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470
2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
N-(4-butylphenyl)-2,4,5-trichlorobenzenesulfonamide
CID 22773924
N-[4-(dimethylamino)phenyl]sulfamoyl chloride
CID 84760640
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide
CID 143109369
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (CID 22774991) is 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The InChIKey is HCYRWSBMYBSGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O2S/c1-19(2)10-5-3-9(4-6-10)18-22(20,21)14-8-12(16)11(15)7-13(14)17/h3-8,18H,1-2H3.
What are the key properties of 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide has a molecular weight of 379.70 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 22774991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).