2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide

C12H11Cl2FN4O2S — CID 87330247

IUPAC2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2FN4O2S/c1-19(2)22(20,21)10-5-7(15)3-4-9(10)17-11-8(13)6-16-12(14)18-11/h3-6H,1-2H3,(H,16,17,18)
InChIKeyJACKYBGPQOYKHN-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide

2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 87330247) has the molecular formula C12H11Cl2FN4O2S and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID87330247
Molecular FormulaC12H11Cl2FN4O2S
Molecular Weight365.22 g/mol
Exact Mass364.00
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(F)ccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2FN4O2S/c1-19(2)22(20,21)10-5-7(15)3-4-9(10)17-11-8(13)6-16-12(14)18-11/h3-6H,1-2H3,(H,16,17,18)
InChIKeyJACKYBGPQOYKHN-UHFFFAOYSA-N
XLogP2.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
2-[(2-chloro-5-iodopyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 138112376
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-nitrobenzenesulfonamide;2,4,5-trichloropyrimidine
CID 159124840
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
2,5-dichloro-N-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 79632308
4-aminobenzoic acid;4-[[5-chloro-4-[2-(dimethylsulfamoyl)anilino]pyrimidin-2-yl]amino]benzoic acid;2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 159656701
5-bromo-N-(2-bromo-4-fluorophenyl)-2-chloropyrimidin-4-amine
CID 79075641
3-[(2,5-dichloropyrimidin-4-yl)amino]-4-propan-2-ylsulfonylbenzonitrile
CID 155291869
2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
2,5-dichloro-N-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632211

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide (CID 87330247) is 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(F)ccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is JACKYBGPQOYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4O2S/c1-19(2)22(20,21)10-5-7(15)3-4-9(10)17-11-8(13)6-16-12(14)18-11/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide?
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 365.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 87330247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).