N-hexyl-4-morpholin-4-ylsulfonylbenzamide

C17H26N2O4S — CID 26264686

IUPACN-hexyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-3-4-5-10-18-17(20)15-6-8-16(9-7-15)24(21,22)19-11-13-23-14-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKeyINYKDWMKPOGDKR-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.02
Rot. Bonds8

About N-hexyl-4-morpholin-4-ylsulfonylbenzamide

N-hexyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 26264686) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-hexyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-hexyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID26264686
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-hexyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-3-4-5-10-18-17(20)15-6-8-16(9-7-15)24(21,22)19-11-13-23-14-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,20)
InChIKeyINYKDWMKPOGDKR-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pentylbenzamide
CID 43924590
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-hexyl-4-morpholin-4-ylsulfonylbenzamide (CID 26264686) is N-hexyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-hexyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-hexyl-4-morpholin-4-ylsulfonylbenzamide is CCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-hexyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is INYKDWMKPOGDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-2-3-4-5-10-18-17(20)15-6-8-16(9-7-15)24(21,22)19-11-13-23-14-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,20).
What are the key properties of N-hexyl-4-morpholin-4-ylsulfonylbenzamide?
N-hexyl-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26264686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).