N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide

C25H25FN2O4S — CID 2458310

IUPACN-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25FN2O4S/c1-27(24(19-8-4-2-5-9-19)20-10-6-3-7-11-20)25(29)22-18-21(12-13-23(22)26)33(30,31)28-14-16-32-17-15-28/h2-13,18,24H,14-17H2,1H3
InChIKeyKRMHEFUMEBFJDH-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.71
Rot. Bonds6

About N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide

N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2458310) has the molecular formula C25H25FN2O4S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2458310
Molecular FormulaC25H25FN2O4S
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC NameN-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25FN2O4S/c1-27(24(19-8-4-2-5-9-19)20-10-6-3-7-11-20)25(29)22-18-21(12-13-23(22)26)33(30,31)28-14-16-32-17-15-28/h2-13,18,24H,14-17H2,1H3
InChIKeyKRMHEFUMEBFJDH-UHFFFAOYSA-N
XLogP3.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylcyclohexyl)benzamide
CID 55588260
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55337584
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
N-cyclopentyl-2-fluoro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 51113554
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]benzamide
CID 55970027
2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119358783

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 2458310) is N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KRMHEFUMEBFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4S/c1-27(24(19-8-4-2-5-9-19)20-10-6-3-7-11-20)25(29)22-18-21(12-13-23(22)26)33(30,31)28-14-16-32-17-15-28/h2-13,18,24H,14-17H2,1H3.
What are the key properties of N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 468.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2458310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).