4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide

C15H25NO4S — CID 5006401

IUPAC4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
SMILESCOC(OC)C(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO4S/c1-11(14(19-5)20-6)16-21(17,18)13-9-7-12(8-10-13)15(2,3)4/h7-11,14,16H,1-6H3
InChIKeyDMWGUKNYJGBKCO-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.27
Rot. Bonds6

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

4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide (PubChem CID 5006401) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
PubChem CID5006401
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
SMILESCOC(OC)C(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO4S/c1-11(14(19-5)20-6)16-21(17,18)13-9-7-12(8-10-13)15(2,3)4/h7-11,14,16H,1-6H3
InChIKeyDMWGUKNYJGBKCO-UHFFFAOYSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dimethoxypropan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 5165120
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
N-(1,1-dimethoxypropan-2-yl)-4-phenylbenzenesulfonamide
CID 25039128
N-(1,1-dimethoxypropan-2-yl)-4-ethylbenzenesulfonamide
CID 3510544
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
3-bromo-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5147367
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
methyl 4-[[(2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoyl]amino]benzoate
CID 9068813

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide (CID 5006401) is 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide is COC(OC)C(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide?
The InChIKey is DMWGUKNYJGBKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-11(14(19-5)20-6)16-21(17,18)13-9-7-12(8-10-13)15(2,3)4/h7-11,14,16H,1-6H3.
What are the key properties of 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide?
4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 5006401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).