N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide

C13H21NO4S — CID 35291114

IUPACN-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H21NO4S/c1-13(2,3)14-19(15,16)12-7-5-11(6-8-12)18-10-9-17-4/h5-8,14H,9-10H2,1-4H3
InChIKeyHJDDNVXFCPFCAH-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.79
Rot. Bonds6

About N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide

N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 35291114) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID35291114
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C13H21NO4S/c1-13(2,3)14-19(15,16)12-7-5-11(6-8-12)18-10-9-17-4/h5-8,14H,9-10H2,1-4H3
InChIKeyHJDDNVXFCPFCAH-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953046
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-[4-(tert-butylsulfamoyl)phenyl]-4-pentoxybenzamide
CID 4935093
4-butoxy-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4936615
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide
CID 10260761
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
(4-tert-butylphenyl) 4-(2-methoxyethoxy)benzenesulfonate
CID 35292720
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide (CID 35291114) is N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is HJDDNVXFCPFCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-13(2,3)14-19(15,16)12-7-5-11(6-8-12)18-10-9-17-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide?
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 35291114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).