N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide

C14H21FN2O3S — CID 113092745

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C14H21FN2O3S/c1-2-3-10-21(18,19)16-13-11-12(15)4-5-14(13)17-6-8-20-9-7-17/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyBMYZLQWUBMTBOQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.20
Rot. Bonds6

About N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide

N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide (PubChem CID 113092745) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
PubChem CID113092745
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C14H21FN2O3S/c1-2-3-10-21(18,19)16-13-11-12(15)4-5-14(13)17-6-8-20-9-7-17/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyBMYZLQWUBMTBOQ-UHFFFAOYSA-N
XLogP2.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
CID 113092743
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide (CID 113092745) is N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide?
The InChIKey is BMYZLQWUBMTBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-2-3-10-21(18,19)16-13-11-12(15)4-5-14(13)17-6-8-20-9-7-17/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide has a molecular weight of 316.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 113092745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).