N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide

C19H24FN3O3S — CID 119992937

IUPACN-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-2-3-4-17(13-21)23-27(25,26)18-11-9-16(10-12-18)22-19(24)14-5-7-15(20)8-6-14/h5-12,17,23H,2-4,13,21H2,1H3,(H,22,24)
InChIKeyHIMNUPYFONDNKR-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.87
Rot. Bonds9

About N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide

N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide (PubChem CID 119992937) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
PubChem CID119992937
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-2-3-4-17(13-21)23-27(25,26)18-11-9-16(10-12-18)22-19(24)14-5-7-15(20)8-6-14/h5-12,17,23H,2-4,13,21H2,1H3,(H,22,24)
InChIKeyHIMNUPYFONDNKR-UHFFFAOYSA-N
XLogP2.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
CID 119981123
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide (CID 119992937) is N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide is CCCCC(CN)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide?
The InChIKey is HIMNUPYFONDNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-2-3-4-17(13-21)23-27(25,26)18-11-9-16(10-12-18)22-19(24)14-5-7-15(20)8-6-14/h5-12,17,23H,2-4,13,21H2,1H3,(H,22,24).
What are the key properties of N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide?
N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide has a molecular weight of 393.48 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 119992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).