6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide

C25H19ClFN7O3S — CID 69329803

IUPAC6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide
SMILESNS(=O)(=O)c1cc(Nc2ncc(F)c(Nc3ccc4c(C(=O)Nc5ccccc5)c[nH]c4c3)n2)ccc1Cl
InChIInChI=1S/C25H19ClFN7O3S/c26-19-9-7-16(11-22(19)38(28,36)37)33-25-30-13-20(27)23(34-25)31-15-6-8-17-18(12-29-21(17)10-15)24(35)32-14-4-2-1-3-5-14/h1-13,29H,(H,32,35)(H2,28,36,37)(H2,30,31,33,34)
InChIKeyUOJCUWLOYFPEFY-UHFFFAOYSA-N
MW551.99 g/mol
LogP5.14
Rot. Bonds7

About 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide

6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide (PubChem CID 69329803) has the molecular formula C25H19ClFN7O3S and a molecular weight of 551.99 g/mol. Its IUPAC name is 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide
PubChem CID69329803
Molecular FormulaC25H19ClFN7O3S
Molecular Weight551.99 g/mol
Exact Mass551.09
IUPAC Name6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide
SMILESNS(=O)(=O)c1cc(Nc2ncc(F)c(Nc3ccc4c(C(=O)Nc5ccccc5)c[nH]c4c3)n2)ccc1Cl
InChIInChI=1S/C25H19ClFN7O3S/c26-19-9-7-16(11-22(19)38(28,36)37)33-25-30-13-20(27)23(34-25)31-15-6-8-17-18(12-29-21(17)10-15)24(35)32-14-4-2-1-3-5-14/h1-13,29H,(H,32,35)(H2,28,36,37)(H2,30,31,33,34)
InChIKeyUOJCUWLOYFPEFY-UHFFFAOYSA-N
XLogP5.14
TPSA154.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.99
LogP ≤ 55.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]-1H-indole-3-carboxamide
CID 25124988
2-chloro-5-[[5-fluoro-4-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 89431806
5-[[4-[[3-(cyanomethyl)-1H-indol-6-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25124990
5-[[5-fluoro-4-(1H-indol-5-ylamino)pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 67047589
5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25187810
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
5-[[4-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 25124993
N-[3-[[5-fluoro-4-(4-fluoroanilino)pyrimidin-2-yl]amino]phenyl]pyrazine-2-carboxamide
CID 127035030
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
5-[[4-(4-benzylanilino)-5-fluoropyrimidin-2-yl]amino]-2-methoxy-3-methylbenzenesulfonamide
CID 68875268
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
5-amino-2-methylbenzenesulfonamide;5-[[4-[(6-amino-5-methyl-2-pyridinyl)amino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-2-pyridinyl]-2,2-dimethylpropanamide;methane
CID 165066230

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide?
The IUPAC name of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide (CID 69329803) is 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide is NS(=O)(=O)c1cc(Nc2ncc(F)c(Nc3ccc4c(C(=O)Nc5ccccc5)c[nH]c4c3)n2)ccc1Cl.
What is the InChIKey of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide?
The InChIKey is UOJCUWLOYFPEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN7O3S/c26-19-9-7-16(11-22(19)38(28,36)37)33-25-30-13-20(27)23(34-25)31-15-6-8-17-18(12-29-21(17)10-15)24(35)32-14-4-2-1-3-5-14/h1-13,29H,(H,32,35)(H2,28,36,37)(H2,30,31,33,34).
What are the key properties of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide?
6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide has a molecular weight of 551.99 g/mol, XLogP of 5.14, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-N-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 69329803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).