N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide

C14H17Cl3N2O3S — CID 15566974

IUPACN-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NC(ON=C1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H17Cl3N2O3S/c15-14(16,17)13(22-18-11-7-3-1-4-8-11)19-23(20,21)12-9-5-2-6-10-12/h2,5-6,9-10,13,19H,1,3-4,7-8H2
InChIKeyUHTXIXXEZSZWNR-UHFFFAOYSA-N
MW399.73 g/mol
LogP4.00
Rot. Bonds5

About N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide

N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide (PubChem CID 15566974) has the molecular formula C14H17Cl3N2O3S and a molecular weight of 399.73 g/mol. Its IUPAC name is N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide
PubChem CID15566974
Molecular FormulaC14H17Cl3N2O3S
Molecular Weight399.73 g/mol
Exact Mass398.00
IUPAC NameN-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NC(ON=C1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H17Cl3N2O3S/c15-14(16,17)13(22-18-11-7-3-1-4-8-11)19-23(20,21)12-9-5-2-6-10-12/h2,5-6,9-10,13,19H,1,3-4,7-8H2
InChIKeyUHTXIXXEZSZWNR-UHFFFAOYSA-N
XLogP4.00
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.73
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(benzenesulfonamido)-2,2,2-trichloroethyl] acetate
CID 3068217
N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
(cycloheptylideneamino) benzenesulfonate
CID 87078888
N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide
CID 15312074
N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
CID 11760285
N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide
CID 54771421
N-[(1S)-2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzenesulfonamide
CID 1037783
N-[(1S)-2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 1252396

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide?
The IUPAC name of N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide (CID 15566974) is N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide.
What is the SMILES notation for N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide?
The canonical SMILES for N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide is O=S(=O)(NC(ON=C1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide?
The InChIKey is UHTXIXXEZSZWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O3S/c15-14(16,17)13(22-18-11-7-3-1-4-8-11)19-23(20,21)12-9-5-2-6-10-12/h2,5-6,9-10,13,19H,1,3-4,7-8H2.
What are the key properties of N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide?
N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide has a molecular weight of 399.73 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 15566974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).