2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide

C20H18Cl2FN5O3S — CID 44591698

IUPAC2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide
SMILESCn1cc(S(=O)(=O)N2CC(CNC(=O)c3ccc(Cl)cc3Cl)(c3ncccc3F)C2)cn1
InChIInChI=1S/C20H18Cl2FN5O3S/c1-27-9-14(8-26-27)32(30,31)28-11-20(12-28,18-17(23)3-2-6-24-18)10-25-19(29)15-5-4-13(21)7-16(15)22/h2-9H,10-12H2,1H3,(H,25,29)
InChIKeyUHWRJPPBIZCUDS-UHFFFAOYSA-N
MW498.37 g/mol
LogP2.63
Rot. Bonds6

About 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide

2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide (PubChem CID 44591698) has the molecular formula C20H18Cl2FN5O3S and a molecular weight of 498.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide
PubChem CID44591698
Molecular FormulaC20H18Cl2FN5O3S
Molecular Weight498.37 g/mol
Exact Mass497.05
IUPAC Name2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide
SMILESCn1cc(S(=O)(=O)N2CC(CNC(=O)c3ccc(Cl)cc3Cl)(c3ncccc3F)C2)cn1
InChIInChI=1S/C20H18Cl2FN5O3S/c1-27-9-14(8-26-27)32(30,31)28-11-20(12-28,18-17(23)3-2-6-24-18)10-25-19(29)15-5-4-13(21)7-16(15)22/h2-9H,10-12H2,1H3,(H,25,29)
InChIKeyUHWRJPPBIZCUDS-UHFFFAOYSA-N
XLogP2.63
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-((3-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 44591763
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591764
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11641652
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11656017
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591636
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 44591667
2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
CID 44591699
2,4-dichloro-N-((1-(2-fluoropropylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 44564766
2,4-dichloro-N-[[1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]benzamide;hydrochloride
CID 155568178
2-chloro-N-[(7R)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2,2,2-trifluoroacetyl)amino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-6-fluorobenzamide
CID 72202016
2-chloro-N-[(7S)-5-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-7-[(2,2,2-trifluoroacetyl)amino]-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-6-fluorobenzamide
CID 72202017
US9963434, Table 12.3
CID 117977778

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide (CID 44591698) is 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide is Cn1cc(S(=O)(=O)N2CC(CNC(=O)c3ccc(Cl)cc3Cl)(c3ncccc3F)C2)cn1.
What is the InChIKey of 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide?
The InChIKey is UHWRJPPBIZCUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN5O3S/c1-27-9-14(8-26-27)32(30,31)28-11-20(12-28,18-17(23)3-2-6-24-18)10-25-19(29)15-5-4-13(21)7-16(15)22/h2-9H,10-12H2,1H3,(H,25,29).
What are the key properties of 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide?
2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide has a molecular weight of 498.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]benzamide is sourced from PubChem (CID 44591698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).