2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride

C20H13ClF2N4O3S — CID 154247842

IUPAC2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(F)c(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C20H13ClF2N4O3S/c1-11-15(10-24-19(25-11)12-5-4-6-13(22)9-12)20(28)26-27-16-8-3-2-7-14(16)17(18(27)23)31(21,29)30/h2-10H,1H3,(H,26,28)
InChIKeyXMRFUETZKNRZON-UHFFFAOYSA-N
MW462.87 g/mol
LogP4.00
Rot. Bonds4

About 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride

2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride (PubChem CID 154247842) has the molecular formula C20H13ClF2N4O3S and a molecular weight of 462.87 g/mol. Its IUPAC name is 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride
PubChem CID154247842
Molecular FormulaC20H13ClF2N4O3S
Molecular Weight462.87 g/mol
Exact Mass462.04
IUPAC Name2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(F)c(S(=O)(=O)Cl)c2ccccc21
InChIInChI=1S/C20H13ClF2N4O3S/c1-11-15(10-24-19(25-11)12-5-4-6-13(22)9-12)20(28)26-27-16-8-3-2-7-14(16)17(18(27)23)31(21,29)30/h2-10H,1H3,(H,26,28)
InChIKeyXMRFUETZKNRZON-UHFFFAOYSA-N
XLogP4.00
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099553
N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099473
5-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonic acid
CID 86639366
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693
2-(3-fluorophenyl)-4-methyl-N-[[5-(propan-2-ylsulfamoyl)-3-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 90918304
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate
CID 71134305
2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
CID 25099313
2,4-bis(3-fluorophenyl)-6-methyl-1,3,5-triazine
CID 134472353
(3-carbamoyl-5-methoxyindol-1-yl) 2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 90946247
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59200027

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride?
The IUPAC name of 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride (CID 154247842) is 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride.
What is the SMILES notation for 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride?
The canonical SMILES for 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride is Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(F)c(S(=O)(=O)Cl)c2ccccc21.
What is the InChIKey of 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride?
The InChIKey is XMRFUETZKNRZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O3S/c1-11-15(10-24-19(25-11)12-5-4-6-13(22)9-12)20(28)26-27-16-8-3-2-7-14(16)17(18(27)23)31(21,29)30/h2-10H,1H3,(H,26,28).
What are the key properties of 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride?
2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride has a molecular weight of 462.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride is sourced from PubChem (CID 154247842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).