4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide

C17H30N2O2S — CID 4264715

IUPAC4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C17H30N2O2S/c1-7-14(2)15-8-10-16(11-9-15)22(20,21)18-12-17(3,4)13-19(5)6/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyRNXAKCHPLITKHE-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.07
Rot. Bonds8

About 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide

4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (PubChem CID 4264715) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
PubChem CID4264715
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C17H30N2O2S/c1-7-14(2)15-8-10-16(11-9-15)22(20,21)18-12-17(3,4)13-19(5)6/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyRNXAKCHPLITKHE-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (CID 4264715) is 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The InChIKey is RNXAKCHPLITKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-7-14(2)15-8-10-16(11-9-15)22(20,21)18-12-17(3,4)13-19(5)6/h8-11,14,18H,7,12-13H2,1-6H3.
What are the key properties of 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide has a molecular weight of 326.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is sourced from PubChem (CID 4264715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).