N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H21F3N2O4S — CID 139029418

IUPACN-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)25-13-2-4-14(5-3-13)26(22,23)20-12-15(6-1-7-15)21-8-10-24-11-9-21/h2-5,20H,1,6-12H2
InChIKeyCQJOVXDMHAQULY-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.12
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 139029418) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID139029418
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC NameN-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)25-13-2-4-14(5-3-13)26(22,23)20-12-15(6-1-7-15)21-8-10-24-11-9-21/h2-5,20H,1,6-12H2
InChIKeyCQJOVXDMHAQULY-UHFFFAOYSA-N
XLogP2.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 139028911
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 42888442
4-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-nitrobenzenesulfonamide
CID 31071074
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
2-[4-[[1-[[[4-(trifluoromethoxy)phenyl]sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999492
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11455323
4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 112505089
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90622431
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 139029418) is N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCC1(N2CCOCC2)CCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CQJOVXDMHAQULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c17-16(18,19)25-13-2-4-14(5-3-13)26(22,23)20-12-15(6-1-7-15)21-8-10-24-11-9-21/h2-5,20H,1,6-12H2.
What are the key properties of N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 394.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 139029418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).