4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide

C20H17ClFNO3S — CID 46152500

IUPAC4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClFNO3S/c1-26-18-10-8-17(9-11-18)23(14-15-4-2-3-5-20(15)22)27(24,25)19-12-6-16(21)7-13-19/h2-13H,14H2,1H3
InChIKeyUBBUHDSXZUDUQS-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.88
Rot. Bonds6

About 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide

4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 46152500) has the molecular formula C20H17ClFNO3S and a molecular weight of 405.88 g/mol. Its IUPAC name is 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID46152500
Molecular FormulaC20H17ClFNO3S
Molecular Weight405.88 g/mol
Exact Mass405.06
IUPAC Name4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClFNO3S/c1-26-18-10-8-17(9-11-18)23(14-15-4-2-3-5-20(15)22)27(24,25)19-12-6-16(21)7-13-19/h2-13H,14H2,1H3
InChIKeyUBBUHDSXZUDUQS-UHFFFAOYSA-N
XLogP4.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 42841700
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 42841577
4-fluoro-N-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 46021847
N-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022288
4-chloro-N-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46021814
2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132626552
(2R)-2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100627417
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100792531
4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2533151
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46022040
N-butyl-2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133151617
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 46152500) is 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is UBBUHDSXZUDUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3S/c1-26-18-10-8-17(9-11-18)23(14-15-4-2-3-5-20(15)22)27(24,25)19-12-6-16(21)7-13-19/h2-13H,14H2,1H3.
What are the key properties of 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide?
4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 405.88 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46152500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).