5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide

C17H16ClFN6O4S2 — CID 67324536

IUPAC5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide
SMILESCS(=O)(=O)Cc1cc(F)c(S(N)(=O)=O)cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1
InChIInChI=1S/C17H16ClFN6O4S2/c1-30(26,27)8-10-4-12(19)14(31(20,28)29)5-13(10)24-16-6-17(23-9-22-16)25-15-3-2-11(18)7-21-15/h2-7,9H,8H2,1H3,(H2,20,28,29)(H2,21,22,23,24,25)
InChIKeyUEXFFYCFVTYEPQ-UHFFFAOYSA-N
MW486.94 g/mol
LogP2.34
Rot. Bonds7

About 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide

5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide (PubChem CID 67324536) has the molecular formula C17H16ClFN6O4S2 and a molecular weight of 486.94 g/mol. Its IUPAC name is 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide
PubChem CID67324536
Molecular FormulaC17H16ClFN6O4S2
Molecular Weight486.94 g/mol
Exact Mass486.03
IUPAC Name5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide
SMILESCS(=O)(=O)Cc1cc(F)c(S(N)(=O)=O)cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1
InChIInChI=1S/C17H16ClFN6O4S2/c1-30(26,27)8-10-4-12(19)14(31(20,28)29)5-13(10)24-16-6-17(23-9-22-16)25-15-3-2-11(18)7-21-15/h2-7,9H,8H2,1H3,(H2,20,28,29)(H2,21,22,23,24,25)
InChIKeyUEXFFYCFVTYEPQ-UHFFFAOYSA-N
XLogP2.34
TPSA157.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.94
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide 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 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide?
The IUPAC name of 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide (CID 67324536) is 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide?
The canonical SMILES for 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide is CS(=O)(=O)Cc1cc(F)c(S(N)(=O)=O)cc1Nc1cc(Nc2ccc(Cl)cn2)ncn1.
What is the InChIKey of 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide?
The InChIKey is UEXFFYCFVTYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN6O4S2/c1-30(26,27)8-10-4-12(19)14(31(20,28)29)5-13(10)24-16-6-17(23-9-22-16)25-15-3-2-11(18)7-21-15/h2-7,9H,8H2,1H3,(H2,20,28,29)(H2,21,22,23,24,25).
What are the key properties of 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide?
5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide has a molecular weight of 486.94 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(5-chloro-2-pyridinyl)amino]pyrimidin-4-yl]amino]-2-fluoro-4-(methylsulfonylmethyl)benzenesulfonamide is sourced from PubChem (CID 67324536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).