N-tert-butyl-3,4-dimethoxybenzenesulfonamide

C12H19NO4S — CID 795187

IUPACN-tert-butyl-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-12(2,3)13-18(14,15)9-6-7-10(16-4)11(8-9)17-5/h6-8,13H,1-5H3
InChIKeyUMBZIAGTWWBSFP-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.78
Rot. Bonds4

About N-tert-butyl-3,4-dimethoxybenzenesulfonamide

N-tert-butyl-3,4-dimethoxybenzenesulfonamide (PubChem CID 795187) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-tert-butyl-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3,4-dimethoxybenzenesulfonamide
PubChem CID795187
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-tert-butyl-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-12(2,3)13-18(14,15)9-6-7-10(16-4)11(8-9)17-5/h6-8,13H,1-5H3
InChIKeyUMBZIAGTWWBSFP-UHFFFAOYSA-N
XLogP1.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
N-[(1R)-1-cyano-1-cyclopropylethyl]-3,4-dimethoxybenzenesulfonamide
CID 8795871
3-(3-aminoprop-1-ynyl)-N-tert-butyl-4-methoxybenzenesulfonamide
CID 60844092
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 9108242
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1307399
N-tert-butyl-3-(3-formyl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 141129541
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-3,4-dimethoxybenzenesulfonamide (CID 795187) is N-tert-butyl-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)C)cc1OC.
What is the InChIKey of N-tert-butyl-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UMBZIAGTWWBSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-12(2,3)13-18(14,15)9-6-7-10(16-4)11(8-9)17-5/h6-8,13H,1-5H3.
What are the key properties of N-tert-butyl-3,4-dimethoxybenzenesulfonamide?
N-tert-butyl-3,4-dimethoxybenzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 795187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).