N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide

C14H19ClN2O4S — CID 94881292

IUPACN-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H19ClN2O4S/c1-9-8-21-10(2)7-17(9)14(18)11-4-5-12(15)13(6-11)16-22(3,19)20/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10+/m1/s1
InChIKeySIHXVYBJNIVQPC-ZJUUUORDSA-N
MW346.84 g/mol
LogP1.96
Rot. Bonds3

About N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide

N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide (PubChem CID 94881292) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
PubChem CID94881292
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
SMILESC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H19ClN2O4S/c1-9-8-21-10(2)7-17(9)14(18)11-4-5-12(15)13(6-11)16-22(3,19)20/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10+/m1/s1
InChIKeySIHXVYBJNIVQPC-ZJUUUORDSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone
CID 94050959
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 49024323
(2,5-dimethylmorpholin-4-yl)-[3-(methylamino)-4-nitrophenyl]methanone
CID 62680857
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 94021130
(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43421024
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536
N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide (CID 94881292) is N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide is C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
The InChIKey is SIHXVYBJNIVQPC-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-9-8-21-10(2)7-17(9)14(18)11-4-5-12(15)13(6-11)16-22(3,19)20/h4-6,9-10,16H,7-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide?
N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 94881292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).