(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone

C17H23ClN2O4S — CID 4091740

IUPAC(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O4S/c1-13-4-2-3-7-20(13)17(21)15-12-14(5-6-16(15)18)25(22,23)19-8-10-24-11-9-19/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyGNFYOTYZIZDOQF-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.38
Rot. Bonds3

About (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone

(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 4091740) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID4091740
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H23ClN2O4S/c1-13-4-2-3-7-20(13)17(21)15-12-14(5-6-16(15)18)25(22,23)19-8-10-24-11-9-19/h5-6,12-13H,2-4,7-11H2,1H3
InChIKeyGNFYOTYZIZDOQF-UHFFFAOYSA-N
XLogP2.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Isomerase, glucose
CID 1151718
2,4-Dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 60635890
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2354229
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
[4-Chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-methylpiperidin-1-yl)methanone
CID 4877373
3-chloro-N-(4-((2R,6S)-2,6-dimethylmorpholine-4-carbonyl)benzyl)benzenesulfonamide
CID 984483
2-chloro-N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11662843
[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
4-({3-[(4-Benzyl-1-piperidinyl)carbonyl]-4-chlorophenyl}sulfonyl)morpholine
CID 1216584

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 4091740) is (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is GNFYOTYZIZDOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-13-4-2-3-7-20(13)17(21)15-12-14(5-6-16(15)18)25(22,23)19-8-10-24-11-9-19/h5-6,12-13H,2-4,7-11H2,1H3.
What are the key properties of (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone?
(2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 386.90 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-morpholin-4-ylsulfonylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4091740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).