4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine

C13H18ClNO3S — CID 20754545

IUPAC4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1cccc(Cl)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H18ClNO3S/c1-10(2)11-4-3-5-12(14)13(11)19(16,17)15-6-8-18-9-7-15/h3-5,10H,6-9H2,1-2H3
InChIKeyUBRCKSMPEIRBRQ-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.48
Rot. Bonds3

About 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine

4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 20754545) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID20754545
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine
SMILESCC(C)c1cccc(Cl)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H18ClNO3S/c1-10(2)11-4-3-5-12(14)13(11)19(16,17)15-6-8-18-9-7-15/h3-5,10H,6-9H2,1-2H3
InChIKeyUBRCKSMPEIRBRQ-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8700706
4-methylmorpholine;2-propan-2-ylbenzenesulfonic acid
CID 19828064
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 7774902
1-(2-propan-2-ylphenyl)sulfonylpyrrolidine
CID 20754489
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
2,6-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46540574
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine (CID 20754545) is 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine is CC(C)c1cccc(Cl)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is UBRCKSMPEIRBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10(2)11-4-3-5-12(14)13(11)19(16,17)15-6-8-18-9-7-15/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine?
4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 303.81 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 20754545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).