N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide

C20H17ClFNO3S — CID 141122633

IUPACN-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C20H17ClFNO3S/c1-14-2-10-19(11-3-14)27(24,25)23-17-6-8-18(9-7-17)26-13-15-4-5-16(22)12-20(15)21/h2-12,23H,13H2,1H3
InChIKeyMAOCKVTYFKTNJG-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.17
Rot. Bonds6

About N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide

N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide (PubChem CID 141122633) has the molecular formula C20H17ClFNO3S and a molecular weight of 405.88 g/mol. Its IUPAC name is N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide
PubChem CID141122633
Molecular FormulaC20H17ClFNO3S
Molecular Weight405.88 g/mol
Exact Mass405.06
IUPAC NameN-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C20H17ClFNO3S/c1-14-2-10-19(11-3-14)27(24,25)23-17-6-8-18(9-7-17)26-13-15-4-5-16(22)12-20(15)21/h2-12,23H,13H2,1H3
InChIKeyMAOCKVTYFKTNJG-UHFFFAOYSA-N
XLogP5.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 22780577
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide (CID 141122633) is N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccc(F)cc3Cl)cc2)cc1.
What is the InChIKey of N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is MAOCKVTYFKTNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO3S/c1-14-2-10-19(11-3-14)27(24,25)23-17-6-8-18(9-7-17)26-13-15-4-5-16(22)12-20(15)21/h2-12,23H,13H2,1H3.
What are the key properties of N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 405.88 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 141122633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).