N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide

C14H12Cl3NO2S — CID 11760285

IUPACN-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H12Cl3NO2S/c15-14(16,17)13(11-7-3-1-4-8-11)18-21(19,20)12-9-5-2-6-10-12/h1-10,13,18H
InChIKeyUTLMHXAIJAYMIZ-UHFFFAOYSA-N
MW364.68 g/mol
LogP4.08
Rot. Bonds4

About N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide

N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide (PubChem CID 11760285) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
PubChem CID11760285
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC NameN-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H12Cl3NO2S/c15-14(16,17)13(11-7-3-1-4-8-11)18-21(19,20)12-9-5-2-6-10-12/h1-10,13,18H
InChIKeyUTLMHXAIJAYMIZ-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
N-[(1S)-2,2,2-trichloro-1-thiophen-2-ylethyl]benzenesulfonamide
CID 1116511
N-(2,2-dimethyl-1-phenylbut-3-enyl)benzenesulfonamide
CID 15880370
N-[(1S)-2,2,2-trichloro-1-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 1117505
N-[(1S,2R)-2-(benzhydrylamino)-2-cyano-1,2-diphenylethyl]benzenesulfonamide
CID 134972774
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 26599279
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571
N-[2,2,2-trichloro-1-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 594210
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide (CID 11760285) is N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide is O=S(=O)(NC(c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide?
The InChIKey is UTLMHXAIJAYMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c15-14(16,17)13(11-7-3-1-4-8-11)18-21(19,20)12-9-5-2-6-10-12/h1-10,13,18H.
What are the key properties of N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide?
N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide has a molecular weight of 364.68 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 11760285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).