5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide

C23H20F2N2O4S — CID 146545954

IUPAC5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F
InChIInChI=1S/C23H20F2N2O4S/c1-31-21-9-8-16(23(28)27-10-5-11-27)12-22(21)32(29,30)26-20-13-17(18(24)14-19(20)25)15-6-3-2-4-7-15/h2-4,6-9,12-14,26H,5,10-11H2,1H3
InChIKeyDMFJQMJZYIPBSI-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.29
Rot. Bonds6

About 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide

5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide (PubChem CID 146545954) has the molecular formula C23H20F2N2O4S and a molecular weight of 458.49 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
PubChem CID146545954
Molecular FormulaC23H20F2N2O4S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Name5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F
InChIInChI=1S/C23H20F2N2O4S/c1-31-21-9-8-16(23(28)27-10-5-11-27)12-22(21)32(29,30)26-20-13-17(18(24)14-19(20)25)15-6-3-2-4-7-15/h2-4,6-9,12-14,26H,5,10-11H2,1H3
InChIKeyDMFJQMJZYIPBSI-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-[3-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methoxyphenyl]methanone
CID 158982249
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methylbenzamide
CID 146545980
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961
5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
3-[[2-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 166018852
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608

Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide (CID 146545954) is 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide is COc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)Nc1cc(-c2ccccc2)c(F)cc1F.
What is the InChIKey of 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is DMFJQMJZYIPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4S/c1-31-21-9-8-16(23(28)27-10-5-11-27)12-22(21)32(29,30)26-20-13-17(18(24)14-19(20)25)15-6-3-2-4-7-15/h2-4,6-9,12-14,26H,5,10-11H2,1H3.
What are the key properties of 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide?
5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 458.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 146545954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).