N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

C19H23FN2O4S — CID 110362702

IUPACN-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2F)c(C)c1
InChIInChI=1S/C19H23FN2O4S/c1-13-10-16(25-3)11-14(2)19(13)27(23,24)21-18-12-15(4-5-17(18)20)22-6-8-26-9-7-22/h4-5,10-12,21H,6-9H2,1-3H3
InChIKeyIVACZLCPCXFARL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.09
Rot. Bonds5

About N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide

N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 110362702) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID110362702
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2F)c(C)c1
InChIInChI=1S/C19H23FN2O4S/c1-13-10-16(25-3)11-14(2)19(13)27(23,24)21-18-12-15(4-5-17(18)20)22-6-8-26-9-7-22/h4-5,10-12,21H,6-9H2,1-3H3
InChIKeyIVACZLCPCXFARL-UHFFFAOYSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 94249243
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
N-(2-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110362713
3-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 110359837
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
N-(2-chloro-5-morpholin-4-ylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 110362802
4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417458
4-ethoxy-N-(2-methoxy-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110359849
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 110362804
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 110362702) is N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cc(N3CCOCC3)ccc2F)c(C)c1.
What is the InChIKey of N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is IVACZLCPCXFARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13-10-16(25-3)11-14(2)19(13)27(23,24)21-18-12-15(4-5-17(18)20)22-6-8-26-9-7-22/h4-5,10-12,21H,6-9H2,1-3H3.
What are the key properties of N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 110362702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).