2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide

C23H19FN6O3S — CID 59145747

IUPAC2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cc(-c3ccccc3)ccc2F)nc1Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C23H19FN6O3S/c24-17-11-10-15(14-6-2-1-3-7-14)12-19(17)29-23-27-13-16(21(25)31)22(30-23)28-18-8-4-5-9-20(18)34(26,32)33/h1-13H,(H2,25,31)(H2,26,32,33)(H2,27,28,29,30)
InChIKeyONJJDQSCMPTLPB-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.52
Rot. Bonds7

About 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide

2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide (PubChem CID 59145747) has the molecular formula C23H19FN6O3S and a molecular weight of 478.51 g/mol. Its IUPAC name is 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
PubChem CID59145747
Molecular FormulaC23H19FN6O3S
Molecular Weight478.51 g/mol
Exact Mass478.12
IUPAC Name2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2cc(-c3ccccc3)ccc2F)nc1Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C23H19FN6O3S/c24-17-11-10-15(14-6-2-1-3-7-14)12-19(17)29-23-27-13-16(21(25)31)22(30-23)28-18-8-4-5-9-20(18)34(26,32)33/h1-13H,(H2,25,31)(H2,26,32,33)(H2,27,28,29,30)
InChIKeyONJJDQSCMPTLPB-UHFFFAOYSA-N
XLogP3.52
TPSA153.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-fluoro-1-oxo-2,3-dihydroinden-5-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 59145733
2-(5-amino-2-fluoroanilino)-4-[2-(methylsulfonylmethylamino)anilino]pyrimidine-5-carboxamide
CID 68533950
2-[[5-(1-aminoethenyl)-2-[(6-fluoro-3-oxo-1,2-dihydroinden-5-yl)amino]pyrimidin-4-yl]amino]benzenesulfonamide
CID 143612584
2-[2-fluoro-5-(methylcarbamoyl)anilino]-4-[2-(methylsulfonylmethylamino)anilino]pyrimidine-5-carboxamide
CID 68533885
2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 163291295
2-[5-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-2-fluoroanilino]-4-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidine-5-carboxamide
CID 59145763
3-[[5-bromo-4-(2-carbamoyl-3-fluoroanilino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonyl chloride
CID 175533419
2-(2-aminoethylamino)-4-anilinopyrimidine-5-carboxamide
CID 22958832
2-[2-fluoro-5-(methylcarbamoyl)anilino]-4-[2-(methylsulfonylmethyl)anilino]pyrimidine-5-carboxylic acid
CID 140546195
2-[[5-cyano-4-(4-hydroxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 175479280
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide (CID 59145747) is 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2cc(-c3ccccc3)ccc2F)nc1Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
The InChIKey is ONJJDQSCMPTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3S/c24-17-11-10-15(14-6-2-1-3-7-14)12-19(17)29-23-27-13-16(21(25)31)22(30-23)28-18-8-4-5-9-20(18)34(26,32)33/h1-13H,(H2,25,31)(H2,26,32,33)(H2,27,28,29,30).
What are the key properties of 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide?
2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-phenylanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 59145747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).