N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride

C14H25ClFN3O4S2 — CID 119992157

IUPACN-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C14H24FN3O4S2.ClH/c1-10(2)13(16)7-8-18(3)24(21,22)11-5-6-14(12(15)9-11)17-23(4,19)20;/h5-6,9-10,13,17H,7-8,16H2,1-4H3;1H
InChIKeyMJELGSVDWLWKIJ-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.61
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119992157) has the molecular formula C14H25ClFN3O4S2 and a molecular weight of 417.96 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119992157
Molecular FormulaC14H25ClFN3O4S2
Molecular Weight417.96 g/mol
Exact Mass417.10
IUPAC NameN-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl
InChIInChI=1S/C14H24FN3O4S2.ClH/c1-10(2)13(16)7-8-18(3)24(21,22)11-5-6-14(12(15)9-11)17-23(4,19)20;/h5-6,9-10,13,17H,7-8,16H2,1-4H3;1H
InChIKeyMJELGSVDWLWKIJ-UHFFFAOYSA-N
XLogP1.61
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride 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)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119992394
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119992236
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-(3-amino-4-methylpentyl)-N-methyl-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119992275
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
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)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride (CID 119992157) is N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is MJELGSVDWLWKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O4S2.ClH/c1-10(2)13(16)7-8-18(3)24(21,22)11-5-6-14(12(15)9-11)17-23(4,19)20;/h5-6,9-10,13,17H,7-8,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119992157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).