4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

C14H23NO3S — CID 42913111

IUPAC4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-11(10-18-5)15-19(16,17)13-8-6-12(7-9-13)14(2,3)4/h6-9,11,15H,10H2,1-5H3
InChIKeyNXPNHGIEZHHEDY-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds5

About 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide

4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 42913111) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID42913111
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO3S/c1-11(10-18-5)15-19(16,17)13-8-6-12(7-9-13)14(2,3)4/h6-9,11,15H,10H2,1-5H3
InChIKeyNXPNHGIEZHHEDY-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940
4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5006401
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 42913111) is 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is NXPNHGIEZHHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(10-18-5)15-19(16,17)13-8-6-12(7-9-13)14(2,3)4/h6-9,11,15H,10H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 42913111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).