N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride

C12H15ClF2N2O4S — CID 119770493

IUPACN-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)C1CNCCO1
InChIInChI=1S/C12H14F2N2O4S.ClH/c13-12(14)21(18,19)9-3-1-2-8(6-9)16-11(17)10-7-15-4-5-20-10;/h1-3,6,10,12,15H,4-5,7H2,(H,16,17);1H
InChIKeyYAFLFWRZNFUJRV-UHFFFAOYSA-N
MW356.78 g/mol
LogP1.03
Rot. Bonds4

About N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride

N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119770493) has the molecular formula C12H15ClF2N2O4S and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119770493
Molecular FormulaC12H15ClF2N2O4S
Molecular Weight356.78 g/mol
Exact Mass356.04
IUPAC NameN-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)C1CNCCO1
InChIInChI=1S/C12H14F2N2O4S.ClH/c13-12(14)21(18,19)9-3-1-2-8(6-9)16-11(17)10-7-15-4-5-20-10;/h1-3,6,10,12,15H,4-5,7H2,(H,16,17);1H
InChIKeyYAFLFWRZNFUJRV-UHFFFAOYSA-N
XLogP1.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-(1,3-dithiolan-2-yl)phenyl]morpholine-2-carboxamide
CID 119692150
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-(3-carbamoyl-4-chlorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119711589
N-[3-(tert-butylsulfinylmethyl)phenyl]morpholine-2-carboxamide
CID 119790021

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119770493) is N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)C1CNCCO1.
What is the InChIKey of N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is YAFLFWRZNFUJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S.ClH/c13-12(14)21(18,19)9-3-1-2-8(6-9)16-11(17)10-7-15-4-5-20-10;/h1-3,6,10,12,15H,4-5,7H2,(H,16,17);1H.
What are the key properties of N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 356.78 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethylsulfonyl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119770493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).