[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone

C19H27ClN2O4S — CID 4877373

IUPAC[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)N3CCCCC3C)ccc2Cl)CC(C)O1
InChIInChI=1S/C19H27ClN2O4S/c1-13-6-4-5-9-22(13)19(23)16-7-8-17(20)18(10-16)27(24,25)21-11-14(2)26-15(3)12-21/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3
InChIKeyRSJVNOKDKJPXAP-UHFFFAOYSA-N
MW414.96 g/mol
LogP3.15
Rot. Bonds3

About [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone

[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 4877373) has the molecular formula C19H27ClN2O4S and a molecular weight of 414.96 g/mol. Its IUPAC name is [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID4877373
Molecular FormulaC19H27ClN2O4S
Molecular Weight414.96 g/mol
Exact Mass414.14
IUPAC Name[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)N3CCCCC3C)ccc2Cl)CC(C)O1
InChIInChI=1S/C19H27ClN2O4S/c1-13-6-4-5-9-22(13)19(23)16-7-8-17(20)18(10-16)27(24,25)21-11-14(2)26-15(3)12-21/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3
InChIKeyRSJVNOKDKJPXAP-UHFFFAOYSA-N
XLogP3.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 60635890
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2354229
1-[4-(4-Chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]ethanone
CID 2474213
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
(2-Chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 4091740
1-[3-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 4100781
3-chloro-N-(4-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)benzyl)benzenesulfonamide
CID 984483
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 16385430
2-Chloro-5-(morpholine-4-carbonyl)-4-phenylsulfanylbenzenesulfonamide
CID 126507944
[4-Chloro-3-(morpholine-4-sulfonyl)-phenyl]-(4-ethyl-piperazin-1-yl)-methanone
CID 1022001
4-chloro-N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-morpholinylsulfonyl)benzamide
CID 1092707
4-Chloro-N-cycloheptyl-3-(morpholine-4-sulfonyl)-benzamide
CID 1092712

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone (CID 4877373) is [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone is CC1CN(S(=O)(=O)c2cc(C(=O)N3CCCCC3C)ccc2Cl)CC(C)O1.
What is the InChIKey of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is RSJVNOKDKJPXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4S/c1-13-6-4-5-9-22(13)19(23)16-7-8-17(20)18(10-16)27(24,25)21-11-14(2)26-15(3)12-21/h7-8,10,13-15H,4-6,9,11-12H2,1-3H3.
What are the key properties of [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone?
[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 414.96 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4877373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).