N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide

C12H18ClFN2O2S — CID 63888195

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O2S/c1-3-12(4-2,8-15)16-19(17,18)11-6-5-9(13)7-10(11)14/h5-7,16H,3-4,8,15H2,1-2H3
InChIKeyZNXHGVRMAZCSNO-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.27
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 63888195) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
PubChem CID63888195
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
SMILESCCC(CC)(CN)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O2S/c1-3-12(4-2,8-15)16-19(17,18)11-6-5-9(13)7-10(11)14/h5-7,16H,3-4,8,15H2,1-2H3
InChIKeyZNXHGVRMAZCSNO-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119981346
N-[3-(aminomethyl)pentan-3-yl]-2,3,4-trifluorobenzenesulfonamide
CID 63888397
N-[3-(aminomethyl)pentan-3-yl]-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120710325
2-amino-4-chloro-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039815
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
4-amino-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62525141
N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 61133614
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-2-methylbenzenesulfonamide
CID 63887407
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-methylbenzenesulfonamide
CID 63888396
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide (CID 63888195) is N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide is CCC(CC)(CN)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is ZNXHGVRMAZCSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S/c1-3-12(4-2,8-15)16-19(17,18)11-6-5-9(13)7-10(11)14/h5-7,16H,3-4,8,15H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 308.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63888195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).