N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide

C19H30FN3O3S — CID 59230836

IUPACN-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCOCC3)c2)CC1
InChIInChI=1S/C19H30FN3O3S/c1-2-27(24,25)22-17-5-3-15(4-6-17)14-21-18-11-16(20)12-19(13-18)23-7-9-26-10-8-23/h11-13,15,17,21-22H,2-10,14H2,1H3
InChIKeyQYMXGKRJQGILHR-UHFFFAOYSA-N
MW399.53 g/mol
LogP2.57
Rot. Bonds7

About N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide

N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide (PubChem CID 59230836) has the molecular formula C19H30FN3O3S and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide
PubChem CID59230836
Molecular FormulaC19H30FN3O3S
Molecular Weight399.53 g/mol
Exact Mass399.20
IUPAC NameN-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCOCC3)c2)CC1
InChIInChI=1S/C19H30FN3O3S/c1-2-27(24,25)22-17-5-3-15(4-6-17)14-21-18-11-16(20)12-19(13-18)23-7-9-26-10-8-23/h11-13,15,17,21-22H,2-10,14H2,1H3
InChIKeyQYMXGKRJQGILHR-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide (CID 59230836) is N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide is CCS(=O)(=O)NC1CCC(CNc2cc(F)cc(N3CCOCC3)c2)CC1.
What is the InChIKey of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide?
The InChIKey is QYMXGKRJQGILHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O3S/c1-2-27(24,25)22-17-5-3-15(4-6-17)14-21-18-11-16(20)12-19(13-18)23-7-9-26-10-8-23/h11-13,15,17,21-22H,2-10,14H2,1H3.
What are the key properties of N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide?
N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide has a molecular weight of 399.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 59230836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).