N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide

C14H24N2O4S2 — CID 119990095

IUPACN-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O4S2/c1-4-14(15,5-2)11-16-22(19,20)13-8-6-12(7-9-13)10-21(3,17)18/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyZUDMFTXDSUEZDR-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.03
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide

N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide (PubChem CID 119990095) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
PubChem CID119990095
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O4S2/c1-4-14(15,5-2)11-16-22(19,20)13-8-6-12(7-9-13)10-21(3,17)18/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyZUDMFTXDSUEZDR-UHFFFAOYSA-N
XLogP1.03
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(methylsulfonylmethyl)benzenesulfonamide
CID 160796965
N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
CID 75430809
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711887
N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
CID 119989827
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-(2-amino-2-ethylbutyl)-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119989920
N-(2-amino-2-ethylbutyl)-3-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119990091
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
N-(2-amino-2-ethylbutyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 115306079

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide (CID 119990095) is N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide?
The InChIKey is ZUDMFTXDSUEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-4-14(15,5-2)11-16-22(19,20)13-8-6-12(7-9-13)10-21(3,17)18/h6-9,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide?
N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide is sourced from PubChem (CID 119990095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).