2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide

C21H25FN2O3S — CID 86956162

IUPAC2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccccc2)C2CC2C)c1
InChIInChI=1S/C21H25FN2O3S/c1-13(2)24-28(26,27)16-9-10-19(22)18(12-16)21(25)23-20(17-11-14(17)3)15-7-5-4-6-8-15/h4-10,12-14,17,20,24H,11H2,1-3H3,(H,23,25)
InChIKeyYDQUMCRUHZWBQD-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.64
Rot. Bonds7

About 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide

2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 86956162) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID86956162
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccccc2)C2CC2C)c1
InChIInChI=1S/C21H25FN2O3S/c1-13(2)24-28(26,27)16-9-10-19(22)18(12-16)21(25)23-20(17-11-14(17)3)15-7-5-4-6-8-15/h4-10,12-14,17,20,24H,11H2,1-3H3,(H,23,25)
InChIKeyYDQUMCRUHZWBQD-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
2-fluoro-5-(propan-2-ylsulfamoyl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzamide
CID 86971016
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86958627
N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39124674
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55606874
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195
4-[[(2-methylcyclopropyl)-phenylmethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 86959941
N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86956159
2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 55604676
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 86956162) is 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC(c2ccccc2)C2CC2C)c1.
What is the InChIKey of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YDQUMCRUHZWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-13(2)24-28(26,27)16-9-10-19(22)18(12-16)21(25)23-20(17-11-14(17)3)15-7-5-4-6-8-15/h4-10,12-14,17,20,24H,11H2,1-3H3,(H,23,25).
What are the key properties of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 86956162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).