3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide

C22H19Cl4NO2S — CID 58875173

IUPAC3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C22H19Cl4NO2S/c1-14(27-30(28,29)19-12-17(24)11-18(25)13-19)21(20-4-2-3-5-22(20)26)10-15-6-8-16(23)9-7-15/h2-9,11-14,21,27H,10H2,1H3
InChIKeyMVPBNVGUQZGIFV-UHFFFAOYSA-N
MW503.28 g/mol
LogP6.99
Rot. Bonds7

About 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide

3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide (PubChem CID 58875173) has the molecular formula C22H19Cl4NO2S and a molecular weight of 503.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide
PubChem CID58875173
Molecular FormulaC22H19Cl4NO2S
Molecular Weight503.28 g/mol
Exact Mass500.99
IUPAC Name3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(Cc1ccc(Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C22H19Cl4NO2S/c1-14(27-30(28,29)19-12-17(24)11-18(25)13-19)21(20-4-2-3-5-22(20)26)10-15-6-8-16(23)9-7-15/h2-9,11-14,21,27H,10H2,1H3
InChIKeyMVPBNVGUQZGIFV-UHFFFAOYSA-N
XLogP6.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.28
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropane-2-sulfonamide
CID 11394870
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
1-(2-chlorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 63412910
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 69330564
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
N-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)butan-2-yl]naphthalene-2-sulfonamide
CID 58875153
4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene
CID 155474826
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide (CID 58875173) is 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(Cc1ccc(Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide?
The InChIKey is MVPBNVGUQZGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl4NO2S/c1-14(27-30(28,29)19-12-17(24)11-18(25)13-19)21(20-4-2-3-5-22(20)26)10-15-6-8-16(23)9-7-15/h2-9,11-14,21,27H,10H2,1H3.
What are the key properties of 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide?
3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide has a molecular weight of 503.28 g/mol, XLogP of 6.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(2-chlorophenyl)-4-(4-chlorophenyl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 58875173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).