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

C19H16ClFN2O4S2 — CID 24629200

IUPAC2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O4S2/c1-13-2-11-19(18(20)12-13)29(26,27)23-16-7-5-15(6-8-16)22-28(24,25)17-9-3-14(21)4-10-17/h2-12,22-23H,1H3
InChIKeyITLMZEVCJBGYOV-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.39
Rot. Bonds6

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

2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide (PubChem CID 24629200) has the molecular formula C19H16ClFN2O4S2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
PubChem CID24629200
Molecular FormulaC19H16ClFN2O4S2
Molecular Weight454.93 g/mol
Exact Mass454.02
IUPAC Name2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1
InChIInChI=1S/C19H16ClFN2O4S2/c1-13-2-11-19(18(20)12-13)29(26,27)23-16-7-5-15(6-8-16)22-28(24,25)17-9-3-14(21)4-10-17/h2-12,22-23H,1H3
InChIKeyITLMZEVCJBGYOV-UHFFFAOYSA-N
XLogP4.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
N-(2-chloro-4-methylphenyl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 30282803
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
2-chloro-4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 24629185
4-fluoro-N-[4-[(3-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982120
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide (CID 24629200) is 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ITLMZEVCJBGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4S2/c1-13-2-11-19(18(20)12-13)29(26,27)23-16-7-5-15(6-8-16)22-28(24,25)17-9-3-14(21)4-10-17/h2-12,22-23H,1H3.
What are the key properties of 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide?
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 454.93 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24629200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).