N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide

C22H20ClFN2O3S — CID 55921642

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15(16-9-11-17(24)12-10-16)13-22(27)25-18-5-4-6-19(14-18)30(28,29)26-21-8-3-2-7-20(21)23/h2-12,14-15,26H,13H2,1H3,(H,25,27)
InChIKeyNFEFZJQQYUAVNI-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.41
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide (PubChem CID 55921642) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
PubChem CID55921642
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15(16-9-11-17(24)12-10-16)13-22(27)25-18-5-4-6-19(14-18)30(28,29)26-21-8-3-2-7-20(21)23/h2-12,14-15,26H,13H2,1H3,(H,25,27)
InChIKeyNFEFZJQQYUAVNI-UHFFFAOYSA-N
XLogP5.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30282664
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55617002
(3R)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 7926305
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-6-fluorobenzamide
CID 36717455
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclohexylacetamide
CID 29373732
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068938
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
CID 60571618
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide (CID 55921642) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide is CC(CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide?
The InChIKey is NFEFZJQQYUAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-15(16-9-11-17(24)12-10-16)13-22(27)25-18-5-4-6-19(14-18)30(28,29)26-21-8-3-2-7-20(21)23/h2-12,14-15,26H,13H2,1H3,(H,25,27).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide has a molecular weight of 446.93 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 55921642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).