2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide

C16H21FN4O3S — CID 133432212

IUPAC2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(Nc2ncnc(CC)c2F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H21FN4O3S/c1-5-12-15(17)16(19-10-18-12)20-11-7-8-13(24-6-2)14(9-11)25(22,23)21(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFRPLKVWUJWRWPF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.57
Rot. Bonds7

About 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide

2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 133432212) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID133432212
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(Nc2ncnc(CC)c2F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H21FN4O3S/c1-5-12-15(17)16(19-10-18-12)20-11-7-8-13(24-6-2)14(9-11)25(22,23)21(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFRPLKVWUJWRWPF-UHFFFAOYSA-N
XLogP2.57
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
2-ethoxy-5-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 56575896
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 133432212) is 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide is CCOc1ccc(Nc2ncnc(CC)c2F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is FRPLKVWUJWRWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-5-12-15(17)16(19-10-18-12)20-11-7-8-13(24-6-2)14(9-11)25(22,23)21(3)4/h7-10H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide?
2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 368.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 133432212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).