4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide

C20H15Cl4NO3S — CID 54771421

IUPAC4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl4NO3S/c21-15-6-10-17(11-7-15)28-19(20(23,24)14-4-2-1-3-5-14)25-29(26,27)18-12-8-16(22)9-13-18/h1-13,19,25H
InChIKeyAPFMIBYFPZRZQN-UHFFFAOYSA-N
MW491.22 g/mol
LogP6.01
Rot. Bonds7

About 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide

4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide (PubChem CID 54771421) has the molecular formula C20H15Cl4NO3S and a molecular weight of 491.22 g/mol. Its IUPAC name is 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide
PubChem CID54771421
Molecular FormulaC20H15Cl4NO3S
Molecular Weight491.22 g/mol
Exact Mass488.95
IUPAC Name4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl4NO3S/c21-15-6-10-17(11-7-15)28-19(20(23,24)14-4-2-1-3-5-14)25-29(26,27)18-12-8-16(22)9-13-18/h1-13,19,25H
InChIKeyAPFMIBYFPZRZQN-UHFFFAOYSA-N
XLogP6.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.22
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2,2-dichloro-1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]ethanethioamide
CID 11189825
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
2,2-diphenyl-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]acetamide
CID 3281338
1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea
CID 134113081
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
[1-(benzenesulfonamido)-2,2,2-trichloroethyl] acetate
CID 3068217
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 66978868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide (CID 54771421) is 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide is O=S(=O)(NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide?
The InChIKey is APFMIBYFPZRZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl4NO3S/c21-15-6-10-17(11-7-15)28-19(20(23,24)14-4-2-1-3-5-14)25-29(26,27)18-12-8-16(22)9-13-18/h1-13,19,25H.
What are the key properties of 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide has a molecular weight of 491.22 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 54771421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).