2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C17H25ClN2O4S — CID 43882765

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O4S/c1-12-6-8-20(9-7-12)25(22,23)14-4-5-16(18)15(10-14)17(21)19-13(2)11-24-3/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyNMSNXHDKYZSNJQ-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.53
Rot. Bonds6

About 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 43882765) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID43882765
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCC(C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O4S/c1-12-6-8-20(9-7-12)25(22,23)14-4-5-16(18)15(10-14)17(21)19-13(2)11-24-3/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyNMSNXHDKYZSNJQ-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28631183
2-chloro-N-[1-(4-ethylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133209970
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
methyl (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoate
CID 41130335
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
N-(1-methoxypropan-2-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 51144176
2-chloro-N-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591320
2-chloro-N-(2-ethylhexyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133166801
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94018529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 43882765) is 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is COCC(C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NMSNXHDKYZSNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-12-6-8-20(9-7-12)25(22,23)14-4-5-16(18)15(10-14)17(21)19-13(2)11-24-3/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 388.92 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 43882765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).