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

C18H21FN2O4S — CID 113092763

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C18H21FN2O4S/c1-13-3-6-17(24-2)18(11-13)26(22,23)20-15-12-14(19)4-5-16(15)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyPWAYKTZZYSMBGG-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.78
Rot. Bonds5

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

N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 113092763) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID113092763
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C18H21FN2O4S/c1-13-3-6-17(24-2)18(11-13)26(22,23)20-15-12-14(19)4-5-16(15)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyPWAYKTZZYSMBGG-UHFFFAOYSA-N
XLogP2.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4827921
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 73437637
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
2-methoxy-5-methyl-N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 113039734
N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
CID 113092743
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 113092763) is N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is PWAYKTZZYSMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-13-3-6-17(24-2)18(11-13)26(22,23)20-15-12-14(19)4-5-16(15)21-7-9-25-10-8-21/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 380.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 113092763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).