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

C17H30N2O2S — CID 2096189

IUPAC4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCC[C@@H](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/t14-/m1/s1
InChIKeyRNXAKCHPLITKHE-CQSZACIVSA-N
MW326.51 g/mol
LogP3.07
Rot. Bonds8

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

4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (PubChem CID 2096189) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
PubChem CID2096189
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCC[C@@H](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/t14-/m1/s1
InChIKeyRNXAKCHPLITKHE-CQSZACIVSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (CID 2096189) is 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is CC[C@@H](C)c1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The InChIKey is RNXAKCHPLITKHE-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
4-[(2R)-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-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is sourced from PubChem (CID 2096189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).