3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide

C20H16Cl2FNO3S — CID 46022998

IUPAC3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H16Cl2FNO3S/c1-27-17-7-5-16(6-8-17)24(13-14-3-2-4-15(21)11-14)28(25,26)18-9-10-20(23)19(22)12-18/h2-12H,13H2,1H3
InChIKeyXZDCQFGLZVSKBO-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.54
Rot. Bonds6

About 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide

3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 46022998) has the molecular formula C20H16Cl2FNO3S and a molecular weight of 440.32 g/mol. Its IUPAC name is 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID46022998
Molecular FormulaC20H16Cl2FNO3S
Molecular Weight440.32 g/mol
Exact Mass439.02
IUPAC Name3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H16Cl2FNO3S/c1-27-17-7-5-16(6-8-17)24(13-14-3-2-4-15(21)11-14)28(25,26)18-9-10-20(23)19(22)12-18/h2-12H,13H2,1H3
InChIKeyXZDCQFGLZVSKBO-UHFFFAOYSA-N
XLogP5.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260186
N-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-4-methylbenzenesulfonamide
CID 46021917
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46152500
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
N-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)-4-nitrobenzenesulfonamide
CID 46022451
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
N-(4-bromophenyl)-3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023287
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide (CID 46022998) is 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is XZDCQFGLZVSKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO3S/c1-27-17-7-5-16(6-8-17)24(13-14-3-2-4-15(21)11-14)28(25,26)18-9-10-20(23)19(22)12-18/h2-12H,13H2,1H3.
What are the key properties of 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide?
3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 440.32 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46022998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).