N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide

C19H24FN3O3S — CID 119981123

IUPACN-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-3-19(4-2,13-21)23-27(25,26)17-11-9-16(10-12-17)22-18(24)14-5-7-15(20)8-6-14/h5-12,23H,3-4,13,21H2,1-2H3,(H,22,24)
InChIKeyYSUILQKUWUQEKN-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.87
Rot. Bonds8

About N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide

N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide (PubChem CID 119981123) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
PubChem CID119981123
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O3S/c1-3-19(4-2,13-21)23-27(25,26)17-11-9-16(10-12-17)22-18(24)14-5-7-15(20)8-6-14/h5-12,23H,3-4,13,21H2,1-2H3,(H,22,24)
InChIKeyYSUILQKUWUQEKN-UHFFFAOYSA-N
XLogP2.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324
N-[4-(1-aminohexan-2-ylsulfamoyl)phenyl]-4-fluorobenzamide
CID 119992937
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
ethyl (E)-3-[4-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]phenyl]prop-2-enoate
CID 25352936
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869288

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide (CID 119981123) is N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide is CCC(CC)(CN)NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide?
The InChIKey is YSUILQKUWUQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-3-19(4-2,13-21)23-27(25,26)17-11-9-16(10-12-17)22-18(24)14-5-7-15(20)8-6-14/h5-12,23H,3-4,13,21H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide?
N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide has a molecular weight of 393.48 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 119981123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).