2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide

C9H10Cl3NO2S — CID 19782295

IUPAC2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl3NO2S/c1-5(2)13-16(14,15)7-4-3-6(10)8(11)9(7)12/h3-5,13H,1-2H3
InChIKeyUBSBVXDJLBHONZ-UHFFFAOYSA-N
MW302.61 g/mol
LogP3.33
Rot. Bonds3

About 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide

2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide (PubChem CID 19782295) has the molecular formula C9H10Cl3NO2S and a molecular weight of 302.61 g/mol. Its IUPAC name is 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
PubChem CID19782295
Molecular FormulaC9H10Cl3NO2S
Molecular Weight302.61 g/mol
Exact Mass300.95
IUPAC Name2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl3NO2S/c1-5(2)13-16(14,15)7-4-3-6(10)8(11)9(7)12/h3-5,13H,1-2H3
InChIKeyUBSBVXDJLBHONZ-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
1,2,3-trichloro-4-(2,3,4-trichlorophenyl)sulfonylbenzene
CID 140967128
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
CID 45100351
6-chloro-2-methyl-N-propan-2-ylpyridine-3-sulfonamide
CID 130552400
2,3,4-trichloro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 50876740
4-amino-2,5-dichloro-N-propan-2-ylbenzenesulfonamide
CID 57320385
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
N-(1-amino-3-methylbutan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089053
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide (CID 19782295) is 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UBSBVXDJLBHONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO2S/c1-5(2)13-16(14,15)7-4-3-6(10)8(11)9(7)12/h3-5,13H,1-2H3.
What are the key properties of 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide?
2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 302.61 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19782295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).