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

C17H24ClN3O4S — CID 50946940

IUPAC2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-20-6-4-13(5-7-20)19-17(22)15-12-14(2-3-16(15)18)26(23,24)21-8-10-25-11-9-21/h2-3,12-13H,4-11H2,1H3,(H,19,22)
InChIKeyUUZBGGZLKZFHEX-UHFFFAOYSA-N
MW401.92 g/mol
LogP1.18
Rot. Bonds4

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

2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 50946940) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID50946940
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC Name2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-20-6-4-13(5-7-20)19-17(22)15-12-14(2-3-16(15)18)26(23,24)21-8-10-25-11-9-21/h2-3,12-13H,4-11H2,1H3,(H,19,22)
InChIKeyUUZBGGZLKZFHEX-UHFFFAOYSA-N
XLogP1.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
2-chloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 2343813
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 56700334
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046761
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 50946940) is 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide is CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UUZBGGZLKZFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c1-20-6-4-13(5-7-20)19-17(22)15-12-14(2-3-16(15)18)26(23,24)21-8-10-25-11-9-21/h2-3,12-13H,4-11H2,1H3,(H,19,22).
What are the key properties of 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 401.92 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 50946940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).