N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C18H25FN2O4S — CID 2569803

IUPACN-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H25FN2O4S/c19-17-7-6-15(26(23,24)21-8-10-25-11-9-21)12-16(17)18(22)20-13-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H,20,22)
InChIKeyMTNPFHIDEHVFLZ-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.16
Rot. Bonds5

About N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2569803) has the molecular formula C18H25FN2O4S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2569803
Molecular FormulaC18H25FN2O4S
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC NameN-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C18H25FN2O4S/c19-17-7-6-15(26(23,24)21-8-10-25-11-9-21)12-16(17)18(22)20-13-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H,20,22)
InChIKeyMTNPFHIDEHVFLZ-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
CID 1076739
N-(4-methylcyclohexyl)-3-(4-methylpiperazino)sulfonyl-benzamide
CID 24983123
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
13-fluoro-N-[3-(morpholin-4-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 11248095
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
4-[4-(3-Fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 36275608
4-fluoro-N-[[4-[[(3-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155532736

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 2569803) is N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is O=C(NCC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MTNPFHIDEHVFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4S/c19-17-7-6-15(26(23,24)21-8-10-25-11-9-21)12-16(17)18(22)20-13-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 384.47 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2569803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).