4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine

C13H20ClN3O3S — CID 110664361

IUPAC4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
SMILESCN(C)S(=O)(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-16(2)21(18,19)15-12-4-3-11(13(14)9-12)10-17-5-7-20-8-6-17/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyTYCFFZKWULQTTG-UHFFFAOYSA-N
MW333.84 g/mol
LogP1.39
Rot. Bonds5

About 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine

4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine (PubChem CID 110664361) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
PubChem CID110664361
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine
SMILESCN(C)S(=O)(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3S/c1-16(2)21(18,19)15-12-4-3-11(13(14)9-12)10-17-5-7-20-8-6-17/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyTYCFFZKWULQTTG-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3-methylsulfonylpropanamide
CID 110609625
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739
N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
CID 126801854
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-ethoxyacetamide
CID 84600438
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoropropanamide
CID 75520574
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-phenoxyacetamide
CID 110416980
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
CID 91405859
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline
CID 75520639
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962

Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine (CID 110664361) is 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine is CN(C)S(=O)(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine?
The InChIKey is TYCFFZKWULQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-16(2)21(18,19)15-12-4-3-11(13(14)9-12)10-17-5-7-20-8-6-17/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine?
4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine has a molecular weight of 333.84 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-4-(dimethylsulfamoylamino)phenyl]methyl]morpholine is sourced from PubChem (CID 110664361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).