2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide

C18H26ClN3O4S — CID 2426270

IUPAC2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCN1CCC(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O4S/c1-20-7-5-14(6-8-20)21(2)18(23)16-13-15(3-4-17(16)19)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3
InChIKeyRTOOYOJQUFWNMR-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.53
Rot. Bonds4

About 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2426270) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2426270
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC Name2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCN1CCC(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C18H26ClN3O4S/c1-20-7-5-14(6-8-20)21(2)18(23)16-13-15(3-4-17(16)19)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3
InChIKeyRTOOYOJQUFWNMR-UHFFFAOYSA-N
XLogP1.53
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 32915727
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2361083
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55774441
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 56700334
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55899477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 2426270) is 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide is CN1CCC(N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RTOOYOJQUFWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4S/c1-20-7-5-14(6-8-20)21(2)18(23)16-13-15(3-4-17(16)19)27(24,25)22-9-11-26-12-10-22/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 415.94 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2426270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).