1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide

C19H19FN2O4S — CID 46948129

IUPAC1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H19FN2O4S/c1-13-6-8-16(9-7-13)27(25,26)21-18(24)19(2)10-11-22(19)17(23)14-4-3-5-15(20)12-14/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyFLENWAQSGCETAW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.24
Rot. Bonds4

About 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide

1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide (PubChem CID 46948129) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide
PubChem CID46948129
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H19FN2O4S/c1-13-6-8-16(9-7-13)27(25,26)21-18(24)19(2)10-11-22(19)17(23)14-4-3-5-15(20)12-14/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyFLENWAQSGCETAW-UHFFFAOYSA-N
XLogP2.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238
4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide
CID 446239
4-(Aminosulfonyl)-N-((2,4,6-Trifluorophenyl)Methyl)-Benzamide
CID 446241
4-(Aminosulfonyl)-N-((3,4,5-Trifluorophenyl)Methyl)-Benzamide
CID 446242
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
4-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431460

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide (CID 46948129) is 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide?
The InChIKey is FLENWAQSGCETAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-13-6-8-16(9-7-13)27(25,26)21-18(24)19(2)10-11-22(19)17(23)14-4-3-5-15(20)12-14/h3-9,12H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide?
1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-2-methyl-N-(4-methylphenyl)sulfonylazetidine-2-carboxamide is sourced from PubChem (CID 46948129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).