4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C15H16FN3O2S — CID 97468902

IUPAC4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(S(=O)(=O)c2cccc(F)c2)Cc2cccnc21
InChIInChI=1S/C15H16FN3O2S/c1-18-8-9-19(11-12-4-3-7-17-15(12)18)22(20,21)14-6-2-5-13(16)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyUZHWYEGLXSCRGX-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.86
Rot. Bonds2

About 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97468902) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97468902
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(S(=O)(=O)c2cccc(F)c2)Cc2cccnc21
InChIInChI=1S/C15H16FN3O2S/c1-18-8-9-19(11-12-4-3-7-17-15(12)18)22(20,21)14-6-2-5-13(16)10-14/h2-7,10H,8-9,11H2,1H3
InChIKeyUZHWYEGLXSCRGX-UHFFFAOYSA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97468890
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CID 983821
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585442
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-methylpyrrolidin-2-one
CID 91913082
4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
CID 71859094
4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407485
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
5-(3-fluorophenyl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201446

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97468902) is 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is CN1CCN(S(=O)(=O)c2cccc(F)c2)Cc2cccnc21.
What is the InChIKey of 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is UZHWYEGLXSCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-18-8-9-19(11-12-4-3-7-17-15(12)18)22(20,21)14-6-2-5-13(16)10-14/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 321.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97468902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).