N-tert-butyl-3-methoxybenzenesulfonamide

C11H17NO3S — CID 10752756

IUPACN-tert-butyl-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,3)12-16(13,14)10-7-5-6-9(8-10)15-4/h5-8,12H,1-4H3
InChIKeyJPXXNSPEPLLYDL-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.77
Rot. Bonds3

About N-tert-butyl-3-methoxybenzenesulfonamide

N-tert-butyl-3-methoxybenzenesulfonamide (PubChem CID 10752756) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-tert-butyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-methoxybenzenesulfonamide
PubChem CID10752756
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-tert-butyl-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C11H17NO3S/c1-11(2,3)12-16(13,14)10-7-5-6-9(8-10)15-4/h5-8,12H,1-4H3
InChIKeyJPXXNSPEPLLYDL-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
N-tert-butyl-7-methoxynaphthalene-1-sulfonamide
CID 14121039
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
3-methoxybenzenesulfonamide
CID 14763060
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-3-methoxybenzenesulfonamide (CID 10752756) is N-tert-butyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-methoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-methoxybenzenesulfonamide?
The InChIKey is JPXXNSPEPLLYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,3)12-16(13,14)10-7-5-6-9(8-10)15-4/h5-8,12H,1-4H3.
What are the key properties of N-tert-butyl-3-methoxybenzenesulfonamide?
N-tert-butyl-3-methoxybenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 10752756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).