4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide

C15H25NO2S — CID 42999390

IUPAC4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-11(2)12(3)16-19(17,18)14-9-7-13(8-10-14)15(4,5)6/h7-12,16H,1-6H3
InChIKeyOMQDSIUZHIDTEO-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.31
Rot. Bonds4

About 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide

4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 42999390) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID42999390
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-11(2)12(3)16-19(17,18)14-9-7-13(8-10-14)15(4,5)6/h7-12,16H,1-6H3
InChIKeyOMQDSIUZHIDTEO-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(1,1-dimethoxypropan-2-yl)benzenesulfonamide
CID 5006401
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
4-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 39086808
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 87040237
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
methyl 2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 60626142
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 42999390) is 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is OMQDSIUZHIDTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)12(3)16-19(17,18)14-9-7-13(8-10-14)15(4,5)6/h7-12,16H,1-6H3.
What are the key properties of 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 42999390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).