N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride

C14H25ClN2O4S2 — CID 119983408

IUPACN-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H24N2O4S2.ClH/c1-11(2)8-13(9-15)16-22(19,20)14-6-4-12(5-7-14)10-21(3,17)18;/h4-7,11,13,16H,8-10,15H2,1-3H3;1H
InChIKeyMJJRZHDDNYSVDE-UHFFFAOYSA-N
MW384.95 g/mol
LogP1.30
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119983408) has the molecular formula C14H25ClN2O4S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119983408
Molecular FormulaC14H25ClN2O4S2
Molecular Weight384.95 g/mol
Exact Mass384.09
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H24N2O4S2.ClH/c1-11(2)8-13(9-15)16-22(19,20)14-6-4-12(5-7-14)10-21(3,17)18;/h4-7,11,13,16H,8-10,15H2,1-3H3;1H
InChIKeyMJJRZHDDNYSVDE-UHFFFAOYSA-N
XLogP1.30
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-bromobenzenesulfonamide
CID 63887954
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119983132
N-(1-amino-4-methylpentan-2-yl)-4-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119983139
N-(1-amino-4-methylpentan-2-yl)-3-ethylbenzenesulfonamide;hydrochloride
CID 119983421
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide
CID 119983247
N-(1-amino-4-methylpentan-2-yl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119983345
N-(1-amino-4-methylpentan-2-yl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119983396
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-amino-4-methylpentan-2-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119983252
N-(1-amino-4-methylpentan-2-yl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 119983339

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride (CID 119983408) is N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is MJJRZHDDNYSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2.ClH/c1-11(2)8-13(9-15)16-22(19,20)14-6-4-12(5-7-14)10-21(3,17)18;/h4-7,11,13,16H,8-10,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119983408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).