(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

C17H23ClN2O4S — CID 7719605

IUPAC(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H23ClN2O4S/c1-13-4-2-3-7-20(13)17(21)14-5-6-15(18)16(12-14)25(22,23)19-8-10-24-11-9-19/h5-6,12-13H,2-4,7-11H2,1H3/t13-/m0/s1
InChIKeyCUBKEAACSRMIGR-ZDUSSCGKSA-N
MW386.90 g/mol
LogP2.38
Rot. Bonds3

About (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 7719605) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID7719605
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H23ClN2O4S/c1-13-4-2-3-7-20(13)17(21)14-5-6-15(18)16(12-14)25(22,23)19-8-10-24-11-9-19/h5-6,12-13H,2-4,7-11H2,1H3/t13-/m0/s1
InChIKeyCUBKEAACSRMIGR-ZDUSSCGKSA-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

2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47063019
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 166348194
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55674304
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 95351110

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone (CID 7719605) is (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone is C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is CUBKEAACSRMIGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c1-13-4-2-3-7-20(13)17(21)14-5-6-15(18)16(12-14)25(22,23)19-8-10-24-11-9-19/h5-6,12-13H,2-4,7-11H2,1H3/t13-/m0/s1.
What are the key properties of (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone?
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-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 (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 7719605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).