N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide

C21H20FN3O4S — CID 58924141

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccncc1NS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O4S/c1-25(14-15-7-9-16(22)10-8-15)21(26)17-5-3-4-6-20(17)30(27,28)24-18-13-23-12-11-19(18)29-2/h3-13,24H,14H2,1-2H3
InChIKeyXKPXPHGUKFYMKJ-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.30
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide

N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide (PubChem CID 58924141) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide
PubChem CID58924141
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccncc1NS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O4S/c1-25(14-15-7-9-16(22)10-8-15)21(26)17-5-3-4-6-20(17)30(27,28)24-18-13-23-12-11-19(18)29-2/h3-13,24H,14H2,1-2H3
InChIKeyXKPXPHGUKFYMKJ-UHFFFAOYSA-N
XLogP3.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 58924014
N-[(3-fluorophenyl)methyl]-2-[3-[(4-methoxy-3-pyridinyl)amino]prop-2-enylsulfonyl]-N-methylbenzamide
CID 175258704
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
2-[(4-ethoxy-3-pyridinyl)sulfamoyl]benzamide
CID 140517414
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17453736
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide (CID 58924141) is N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide is COc1ccncc1NS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is XKPXPHGUKFYMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-25(14-15-7-9-16(22)10-8-15)21(26)17-5-3-4-6-20(17)30(27,28)24-18-13-23-12-11-19(18)29-2/h3-13,24H,14H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide?
N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 429.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-methoxy-3-pyridinyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 58924141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).