N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide

C17H20N2O5S — CID 136541828

IUPACN-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccoc3)cc2)CC(C)O1
InChIInChI=1S/C17H20N2O5S/c1-12-9-19(10-13(2)24-12)17(20)14-3-5-15(6-4-14)18-25(21,22)16-7-8-23-11-16/h3-8,11-13,18H,9-10H2,1-2H3
InChIKeyHXSSMDPOILYNNT-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.33
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide

N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide (PubChem CID 136541828) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide
PubChem CID136541828
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccoc3)cc2)CC(C)O1
InChIInChI=1S/C17H20N2O5S/c1-12-9-19(10-13(2)24-12)17(20)14-3-5-15(6-4-14)18-25(21,22)16-7-8-23-11-16/h3-8,11-13,18H,9-10H2,1-2H3
InChIKeyHXSSMDPOILYNNT-UHFFFAOYSA-N
XLogP2.33
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 18108400
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
(3S,4S)-1-[4-(benzenesulfonamido)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952283
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 25331350
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide (CID 136541828) is N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide is CC1CN(C(=O)c2ccc(NS(=O)(=O)c3ccoc3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide?
The InChIKey is HXSSMDPOILYNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12-9-19(10-13(2)24-12)17(20)14-3-5-15(6-4-14)18-25(21,22)16-7-8-23-11-16/h3-8,11-13,18H,9-10H2,1-2H3.
What are the key properties of N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide?
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide has a molecular weight of 364.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide is sourced from PubChem (CID 136541828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).