2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide

C13H16Cl3NO2S — CID 19681997

IUPAC2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl3NO2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-7-10(15)9(14)6-11(13)16/h6-8,12,17H,2-5H2,1H3
InChIKeyGYBWLWNHSWCUST-UHFFFAOYSA-N
MW356.70 g/mol
LogP4.50
Rot. Bonds3

About 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide

2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 19681997) has the molecular formula C13H16Cl3NO2S and a molecular weight of 356.70 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID19681997
Molecular FormulaC13H16Cl3NO2S
Molecular Weight356.70 g/mol
Exact Mass355.00
IUPAC Name2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl3NO2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-7-10(15)9(14)6-11(13)16/h6-8,12,17H,2-5H2,1H3
InChIKeyGYBWLWNHSWCUST-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.70
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
5-amino-2-chloro-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 61113212
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide (CID 19681997) is 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is GYBWLWNHSWCUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-7-10(15)9(14)6-11(13)16/h6-8,12,17H,2-5H2,1H3.
What are the key properties of 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 356.70 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 19681997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).