N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

C17H26ClF2N3O3S — CID 120724417

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)CC(C)O1.Cl
InChIInChI=1S/C17H25F2N3O3S.ClH/c1-11-9-22(10-12(2)25-11)26(23,24)21-17-8-20-6-5-14(17)13-3-4-15(18)16(19)7-13;/h3-4,7,11-12,14,17,20-21H,5-6,8-10H2,1-2H3;1H
InChIKeyUHFRGOYATKKZNI-UHFFFAOYSA-N
MW425.93 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (PubChem CID 120724417) has the molecular formula C17H26ClF2N3O3S and a molecular weight of 425.93 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
PubChem CID120724417
Molecular FormulaC17H26ClF2N3O3S
Molecular Weight425.93 g/mol
Exact Mass425.14
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)CC(C)O1.Cl
InChIInChI=1S/C17H25F2N3O3S.ClH/c1-11-9-22(10-12(2)25-11)26(23,24)21-17-8-20-6-5-14(17)13-3-4-15(18)16(19)7-13;/h3-4,7,11-12,14,17,20-21H,5-6,8-10H2,1-2H3;1H
InChIKeyUHFRGOYATKKZNI-UHFFFAOYSA-N
XLogP1.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (CID 120724417) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is CC1CN(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)CC(C)O1.Cl.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The InChIKey is UHFRGOYATKKZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O3S.ClH/c1-11-9-22(10-12(2)25-11)26(23,24)21-17-8-20-6-5-14(17)13-3-4-15(18)16(19)7-13;/h3-4,7,11-12,14,17,20-21H,5-6,8-10H2,1-2H3;1H.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride has a molecular weight of 425.93 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120724417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).