4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

C17H22FN5O2S — CID 134148683

IUPAC4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESNS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3F)ncn2)CC1
InChIInChI=1S/C17H22FN5O2S/c18-15-4-2-1-3-14(15)16-11-17(21-12-20-16)23-9-6-13(7-10-23)5-8-22-26(19,24)25/h1-4,11-13,22H,5-10H2,(H2,19,24,25)
InChIKeyCIMGHJBGHORLSF-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.68
Rot. Bonds6

About 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine

4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 134148683) has the molecular formula C17H22FN5O2S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
PubChem CID134148683
Molecular FormulaC17H22FN5O2S
Molecular Weight379.46 g/mol
Exact Mass379.15
IUPAC Name4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
SMILESNS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3F)ncn2)CC1
InChIInChI=1S/C17H22FN5O2S/c18-15-4-2-1-3-14(15)16-11-17(21-12-20-16)23-9-6-13(7-10-23)5-8-22-26(19,24)25/h1-4,11-13,22H,5-10H2,(H2,19,24,25)
InChIKeyCIMGHJBGHORLSF-UHFFFAOYSA-N
XLogP1.68
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 134145904
4-(2-methoxyphenyl)-6-[4-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 134149174
1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 68680225
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
1,3-dimethyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-4H-pyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003395
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
CID 155100110
4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554
3-methyl-2-oxo-5-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,4-dihydropyrimido[4,5-d]pyrimidine;hydrochloride
CID 169003402
6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline
CID 168793669
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
CID 103300524
4-fluoro-6-(4-propylpiperidin-1-yl)pyrimidine
CID 115416875

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine (CID 134148683) is 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is NS(=O)(=O)NCCC1CCN(c2cc(-c3ccccc3F)ncn2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is CIMGHJBGHORLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2S/c18-15-4-2-1-3-14(15)16-11-17(21-12-20-16)23-9-6-13(7-10-23)5-8-22-26(19,24)25/h1-4,11-13,22H,5-10H2,(H2,19,24,25).
What are the key properties of 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine?
4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 379.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 134148683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).