2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C18H15FN4O3S — CID 1150946

IUPAC2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C18H15FN4O3S/c1-12-10-11-20-18(21-12)23-27(25,26)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)19/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyJIDDEKAGGBQWCI-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.98
Rot. Bonds5

About 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1150946) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1150946
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1
InChIInChI=1S/C18H15FN4O3S/c1-12-10-11-20-18(21-12)23-27(25,26)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)19/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyJIDDEKAGGBQWCI-UHFFFAOYSA-N
XLogP2.98
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N4-Acetylsulfamerazine
CID 67181
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)pyrimidine-4-carboxamide
CID 25182905
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CID 53319075
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
CID 135298767
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
3-((4-((3-Fluorophenyl)amino)pyrimidin-2-yl)amino)benzamide
CID 25138030
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5
CID 57340654
N-(4-acetylphenyl)-2-aminopyrimidine-5-sulfonamide
CID 16031255
N-[3-(2-anilino-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 70683521

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1150946) is 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)n1.
What is the InChIKey of 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is JIDDEKAGGBQWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c1-12-10-11-20-18(21-12)23-27(25,26)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)19/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).