N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide

C17H19FN2O3S — CID 113092748

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13-2-5-15(6-3-13)24(21,22)19-16-12-14(18)4-7-17(16)20-8-10-23-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyGRBGOYWUGKTVEX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.77
Rot. Bonds4

About N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide

N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide (PubChem CID 113092748) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
PubChem CID113092748
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13-2-5-15(6-3-13)24(21,22)19-16-12-14(18)4-7-17(16)20-8-10-23-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyGRBGOYWUGKTVEX-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
CID 113092743
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 113092411
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
CID 113092745
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
N-(5-fluoro-2-piperidin-1-ylphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 113092662
4-fluoro-N-[5-(morpholine-4-carbonyl)-2-piperazin-1-ylphenyl]benzenesulfonamide
CID 46333186
4-methyl-N-[7-[8-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)naphthalen-2-yl]naphthalen-1-yl]benzenesulfonamide
CID 132558307
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide (CID 113092748) is N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is GRBGOYWUGKTVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13-2-5-15(6-3-13)24(21,22)19-16-12-14(18)4-7-17(16)20-8-10-23-11-9-20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 350.42 g/mol, XLogP of 2.77, 4 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 113092748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).