4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine

C17H17Cl2NO3S — CID 110369392

IUPAC4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCC1COC(c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3S/c1-12-11-23-17(13-5-3-2-4-6-13)10-20(12)24(21,22)14-7-8-15(18)16(19)9-14/h2-9,12,17H,10-11H2,1H3
InChIKeyVVFWRQKTDPYVLD-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.14
Rot. Bonds3

About 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine

4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine (PubChem CID 110369392) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
PubChem CID110369392
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Name4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCC1COC(c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3S/c1-12-11-23-17(13-5-3-2-4-6-13)10-20(12)24(21,22)14-7-8-15(18)16(19)9-14/h2-9,12,17H,10-11H2,1H3
InChIKeyVVFWRQKTDPYVLD-UHFFFAOYSA-N
XLogP4.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
CID 110369532
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
4-(4-chloro-3-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 43544676
2-chloro-5-(2,5-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 47304224
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine (CID 110369392) is 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine is CC1COC(c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The InChIKey is VVFWRQKTDPYVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-12-11-23-17(13-5-3-2-4-6-13)10-20(12)24(21,22)14-7-8-15(18)16(19)9-14/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine?
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine has a molecular weight of 386.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 110369392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).