N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide

C14H23FN2O2S — CID 119992136

IUPACN-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1F
InChIInChI=1S/C14H23FN2O2S/c1-10(2)14(16)7-8-17(4)20(18,19)12-5-6-13(15)11(3)9-12/h5-6,9-10,14H,7-8,16H2,1-4H3
InChIKeyOGCUEIOAJJCRME-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.13
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide

N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide (PubChem CID 119992136) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
PubChem CID119992136
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC NameN-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1F
InChIInChI=1S/C14H23FN2O2S/c1-10(2)14(16)7-8-17(4)20(18,19)12-5-6-13(15)11(3)9-12/h5-6,9-10,14H,7-8,16H2,1-4H3
InChIKeyOGCUEIOAJJCRME-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide 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-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119992394
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
CID 119992157
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119992236
N-(3-amino-4-methylpentyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 119991911
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide (CID 119992136) is N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCC(N)C(C)C)ccc1F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The InChIKey is OGCUEIOAJJCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-10(2)14(16)7-8-17(4)20(18,19)12-5-6-13(15)11(3)9-12/h5-6,9-10,14H,7-8,16H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 119992136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).