N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C21H25FN4O4S — CID 90634270

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H25FN4O4S/c22-16-13-23-21(24-14-16)30-18-7-5-17(6-8-18)25-20(27)15-3-9-19(10-4-15)31(28,29)26-11-1-2-12-26/h3-4,9-10,13-14,17-18H,1-2,5-8,11-12H2,(H,25,27)
InChIKeyOOUMQKJIUJXJEV-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.52
Rot. Bonds6

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 90634270) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID90634270
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H25FN4O4S/c22-16-13-23-21(24-14-16)30-18-7-5-17(6-8-18)25-20(27)15-3-9-19(10-4-15)31(28,29)26-11-1-2-12-26/h3-4,9-10,13-14,17-18H,1-2,5-8,11-12H2,(H,25,27)
InChIKeyOOUMQKJIUJXJEV-UHFFFAOYSA-N
XLogP2.52
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-piperidin-1-ylsulfonyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633315
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]morpholine-4-carboxamide
CID 91626436
1-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-propan-2-ylurea
CID 90634473

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 90634270) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is OOUMQKJIUJXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c22-16-13-23-21(24-14-16)30-18-7-5-17(6-8-18)25-20(27)15-3-9-19(10-4-15)31(28,29)26-11-1-2-12-26/h3-4,9-10,13-14,17-18H,1-2,5-8,11-12H2,(H,25,27).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 448.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90634270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).