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

C16H28N2O5S2 — CID 119989827

IUPACN-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1
InChIInChI=1S/C16H28N2O5S2/c1-4-16(17,5-2)13-18-25(21,22)15-9-7-14(8-10-15)23-11-12-24(19,20)6-3/h7-10,18H,4-6,11-13,17H2,1-3H3
InChIKeyWQLHGAQQMSAUOX-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.30
Rot. Bonds11

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

N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide (PubChem CID 119989827) has the molecular formula C16H28N2O5S2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
PubChem CID119989827
Molecular FormulaC16H28N2O5S2
Molecular Weight392.54 g/mol
Exact Mass392.14
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1
InChIInChI=1S/C16H28N2O5S2/c1-4-16(17,5-2)13-18-25(21,22)15-9-7-14(8-10-15)23-11-12-24(19,20)6-3/h7-10,18H,4-6,11-13,17H2,1-3H3
InChIKeyWQLHGAQQMSAUOX-UHFFFAOYSA-N
XLogP1.30
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
N-(3-aminopropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119962062
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
CID 119990095
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-(2-amino-2-ethylbutyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711887
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
CID 75430809
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide (CID 119989827) is N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide?
The InChIKey is WQLHGAQQMSAUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S2/c1-4-16(17,5-2)13-18-25(21,22)15-9-7-14(8-10-15)23-11-12-24(19,20)6-3/h7-10,18H,4-6,11-13,17H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide?
N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide has a molecular weight of 392.54 g/mol, XLogP of 1.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide is sourced from PubChem (CID 119989827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).