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

C19H15ClFN7O3S — CID 25124989

IUPAC6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2cc(Nc3nc(Nc4ccc(Cl)c(S(N)(=O)=O)c4)ncc3F)ccc12
InChIInChI=1S/C19H15ClFN7O3S/c20-13-4-2-10(6-16(13)32(23,30)31)27-19-25-8-14(21)18(28-19)26-9-1-3-11-12(17(22)29)7-24-15(11)5-9/h1-8,24H,(H2,22,29)(H2,23,30,31)(H2,25,26,27,28)
InChIKeyXDWKGUGUQNPFKO-UHFFFAOYSA-N
MW475.89 g/mol
LogP2.98
Rot. Bonds6

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

6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide (PubChem CID 25124989) has the molecular formula C19H15ClFN7O3S and a molecular weight of 475.89 g/mol. Its IUPAC name is 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide
PubChem CID25124989
Molecular FormulaC19H15ClFN7O3S
Molecular Weight475.89 g/mol
Exact Mass475.06
IUPAC Name6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide
SMILESNC(=O)c1c[nH]c2cc(Nc3nc(Nc4ccc(Cl)c(S(N)(=O)=O)c4)ncc3F)ccc12
InChIInChI=1S/C19H15ClFN7O3S/c20-13-4-2-10(6-16(13)32(23,30)31)27-19-25-8-14(21)18(28-19)26-9-1-3-11-12(17(22)29)7-24-15(11)5-9/h1-8,24H,(H2,22,29)(H2,23,30,31)(H2,25,26,27,28)
InChIKeyXDWKGUGUQNPFKO-UHFFFAOYSA-N
XLogP2.98
TPSA168.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.89
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide?
The IUPAC name of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide (CID 25124989) is 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide?
The canonical SMILES for 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide is NC(=O)c1c[nH]c2cc(Nc3nc(Nc4ccc(Cl)c(S(N)(=O)=O)c4)ncc3F)ccc12.
What is the InChIKey of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide?
The InChIKey is XDWKGUGUQNPFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN7O3S/c20-13-4-2-10(6-16(13)32(23,30)31)27-19-25-8-14(21)18(28-19)26-9-1-3-11-12(17(22)29)7-24-15(11)5-9/h1-8,24H,(H2,22,29)(H2,23,30,31)(H2,25,26,27,28).
What are the key properties of 6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide?
6-[[2-(4-chloro-3-sulfamoylanilino)-5-fluoropyrimidin-4-yl]amino]-1H-indole-3-carboxamide has a molecular weight of 475.89 g/mol, XLogP of 2.98, 6 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]-1H-indole-3-carboxamide is sourced from PubChem (CID 25124989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).