2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide

C14H18Cl3NO2S — CID 1178561

IUPAC2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl3NO2S/c1-2-18(10-6-4-3-5-7-10)21(19,20)14-9-12(16)11(15)8-13(14)17/h8-10H,2-7H2,1H3
InChIKeyLZULHUZNUMZEQC-UHFFFAOYSA-N
MW370.73 g/mol
LogP4.99
Rot. Bonds4

About 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide

2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide (PubChem CID 1178561) has the molecular formula C14H18Cl3NO2S and a molecular weight of 370.73 g/mol. Its IUPAC name is 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
PubChem CID1178561
Molecular FormulaC14H18Cl3NO2S
Molecular Weight370.73 g/mol
Exact Mass369.01
IUPAC Name2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl3NO2S/c1-2-18(10-6-4-3-5-7-10)21(19,20)14-9-12(16)11(15)8-13(14)17/h8-10H,2-7H2,1H3
InChIKeyLZULHUZNUMZEQC-UHFFFAOYSA-N
XLogP4.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.73
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
2,3,4-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 50876130
2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 80697368
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
6-chloro-N-cyclopentyl-N-ethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 87032725
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
2-bromo-N-cyclohexyl-N-ethyl-5-methylsulfonylbenzenesulfonamide
CID 60568415
6-bromo-N-cyclopentyl-N-ethyl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48944539

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide (CID 1178561) is 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
The InChIKey is LZULHUZNUMZEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO2S/c1-2-18(10-6-4-3-5-7-10)21(19,20)14-9-12(16)11(15)8-13(14)17/h8-10H,2-7H2,1H3.
What are the key properties of 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide?
2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide has a molecular weight of 370.73 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-cyclohexyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 1178561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).