N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide

C17H24N2O4S — CID 110343683

IUPACN-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-12-23-11-10-19(13)24(21,22)16-8-6-14(7-9-16)17(20)18-15-4-2-3-5-15/h6-9,13,15H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyHYQIWDHGPYSKCV-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.77
Rot. Bonds4

About N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide

N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343683) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343683
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H24N2O4S/c1-13-12-23-11-10-19(13)24(21,22)16-8-6-14(7-9-16)17(20)18-15-4-2-3-5-15/h6-9,13,15H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyHYQIWDHGPYSKCV-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343559
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
4-(4-cyclopentyloxyphenyl)sulfonyl-3-methylmorpholine
CID 110292279
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 155180653
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343683) is N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide is CC1COCCN1S(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is HYQIWDHGPYSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-12-23-11-10-19(13)24(21,22)16-8-6-14(7-9-16)17(20)18-15-4-2-3-5-15/h6-9,13,15H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).