N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide

C19H20Cl2N2O4S — CID 2331634

IUPACN-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)19(24)14-4-3-5-16(8-14)28(25,26)22-18-9-15(20)6-7-17(18)21/h3-9,12-13,22H,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyIWJSFSNMTOSQRR-CHWSQXEVSA-N
MW443.35 g/mol
LogP4.04
Rot. Bonds4

About N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide

N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide (PubChem CID 2331634) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
PubChem CID2331634
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC NameN-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)19(24)14-4-3-5-16(8-14)28(25,26)22-18-9-15(20)6-7-17(18)21/h3-9,12-13,22H,10-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyIWJSFSNMTOSQRR-CHWSQXEVSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2325867
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051
N-(2,5-dichlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide
CID 2336349
N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063323
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
3-chloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3549443
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43044408
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 34281083
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide (CID 2331634) is N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide is C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C[C@@H](C)O1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide?
The InChIKey is IWJSFSNMTOSQRR-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)19(24)14-4-3-5-16(8-14)28(25,26)22-18-9-15(20)6-7-17(18)21/h3-9,12-13,22H,10-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide?
N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide has a molecular weight of 443.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 2331634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).