3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C20H18FN3O3S — CID 139369549

IUPAC3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-14-4-6-19(7-5-14)28(26,27)24-18-10-16(9-17(21)11-18)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyNMHUTWVXZXXWNE-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.26
Rot. Bonds6

About 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139369549) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139369549
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-14-4-6-19(7-5-14)28(26,27)24-18-10-16(9-17(21)11-18)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyNMHUTWVXZXXWNE-UHFFFAOYSA-N
XLogP3.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
Stf-31
CID 984333
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
CID 134581398
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
Sulfonamide deriv., 7i
CID 44520905

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 139369549) is 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NMHUTWVXZXXWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-14-4-6-19(7-5-14)28(26,27)24-18-10-16(9-17(21)11-18)20(25)23-13-15-3-2-8-22-12-15/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139369549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).