N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide

C13H22N2O4S — CID 115303427

IUPACN-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C13H22N2O4S/c1-13(2,14)10-15-20(16,17)12-6-4-11(5-7-12)19-9-8-18-3/h4-7,15H,8-10,14H2,1-3H3
InChIKeyZBFFDYUNAZBNCS-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.73
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide

N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 115303427) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID115303427
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1
InChIInChI=1S/C13H22N2O4S/c1-13(2,14)10-15-20(16,17)12-6-4-11(5-7-12)19-9-8-18-3/h4-7,15H,8-10,14H2,1-3H3
InChIKeyZBFFDYUNAZBNCS-UHFFFAOYSA-N
XLogP0.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
N-(2-amino-2-ethylbutyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119990079
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
N-(2-amino-2-ethylbutyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide
CID 119989827
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide (CID 115303427) is N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCC(C)(C)N)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is ZBFFDYUNAZBNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-13(2,14)10-15-20(16,17)12-6-4-11(5-7-12)19-9-8-18-3/h4-7,15H,8-10,14H2,1-3H3.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide?
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.73, 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-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 115303427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).