4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

C18H20ClNO3S — CID 110369409

IUPAC4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2C)cc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-13-8-9-16(10-17(13)19)24(21,22)20-11-18(23-12-14(20)2)15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyBISYVJYLSNOOPC-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.80
Rot. Bonds3

About 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (PubChem CID 110369409) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
PubChem CID110369409
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2C)cc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-13-8-9-16(10-17(13)19)24(21,22)20-11-18(23-12-14(20)2)15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyBISYVJYLSNOOPC-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
CID 110369532
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
3-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740254
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 51943139
1-benzyl-4-(3-chloro-4-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110657740

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (CID 110369409) is 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)OCC2C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The InChIKey is BISYVJYLSNOOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13-8-9-16(10-17(13)19)24(21,22)20-11-18(23-12-14(20)2)15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine has a molecular weight of 365.88 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 110369409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).