4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide

C15H11Cl4NOS — CID 7038102

IUPAC4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide
SMILESO=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl4NOS/c16-11-8-6-10(7-9-11)13(21)20-14(15(17,18)19)22-12-4-2-1-3-5-12/h1-9,14H,(H,20,21)/t14-/m1/s1
InChIKeyPBGTYZJPHWFPCP-CQSZACIVSA-N
MW395.14 g/mol
LogP5.56
Rot. Bonds4

About 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide

4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide (PubChem CID 7038102) has the molecular formula C15H11Cl4NOS and a molecular weight of 395.14 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide
PubChem CID7038102
Molecular FormulaC15H11Cl4NOS
Molecular Weight395.14 g/mol
Exact Mass392.93
IUPAC Name4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide
SMILESO=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl4NOS/c16-11-8-6-10(7-9-11)13(21)20-14(15(17,18)19)22-12-4-2-1-3-5-12/h1-9,14H,(H,20,21)/t14-/m1/s1
InChIKeyPBGTYZJPHWFPCP-CQSZACIVSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.14
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 2252645
N-[(1S)-2,2,2-trichloro-1-phenylsulfanylethyl]pyridine-3-carboxamide
CID 1130366
2-nitro-N-(2,2,2-trichloro-1-phenylsulfanylethyl)benzamide
CID 44723769
N-(2,2,2-trichloro-1-pyridin-2-ylsulfanylethyl)benzamide
CID 3540666
3-methyl-N-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]butanamide
CID 2302472
ethyl N-[2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]carbamate
CID 3089950
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-chloro-N-[(1R)-2,2,2-trichloro-1-[4-(difluoromethylsulfanyl)anilino]ethyl]benzamide
CID 34306906
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
N-[(1R)-1-[2-[(1S)-1-benzamido-2,2,2-trichloroethyl]sulfanylpyrimidin-4-yl]sulfanyl-2,2,2-trichloroethyl]benzamide
CID 99670539
N-(2,2,2-trichloro-1-pyrimidin-4-ylsulfanylethyl)benzamide
CID 2830410
N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide
CID 41097239

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide (CID 7038102) is 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide is O=C(N[C@H](Sc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide?
The InChIKey is PBGTYZJPHWFPCP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11Cl4NOS/c16-11-8-6-10(7-9-11)13(21)20-14(15(17,18)19)22-12-4-2-1-3-5-12/h1-9,14H,(H,20,21)/t14-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide?
4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide has a molecular weight of 395.14 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2,2,2-trichloro-1-phenylsulfanylethyl]benzamide is sourced from PubChem (CID 7038102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).