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

C17H30N2O2S — CID 3695989

IUPAC4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C17H30N2O2S/c1-6-7-8-15-9-11-16(12-10-15)22(20,21)18-13-17(2,3)14-19(4)5/h9-12,18H,6-8,13-14H2,1-5H3
InChIKeyHKNCKMMALRYQLE-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.90
Rot. Bonds9

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

4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (PubChem CID 3695989) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
PubChem CID3695989
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C17H30N2O2S/c1-6-7-8-15-9-11-16(12-10-15)22(20,21)18-13-17(2,3)14-19(4)5/h9-12,18H,6-8,13-14H2,1-5H3
InChIKeyHKNCKMMALRYQLE-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
4-[(2R)-butan-2-yl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2096189
4-butan-2-yl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 4264715
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)propyl]benzenesulfonamide
CID 19681719
N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
CID 43453436
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
4-butylbenzenesulfonohydrazide
CID 17255521
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
3-[4-(2,2-dimethylbutylsulfamoyl)phenyl]propanoic acid
CID 103460294

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide (CID 3695989) is 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
The InChIKey is HKNCKMMALRYQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-6-7-8-15-9-11-16(12-10-15)22(20,21)18-13-17(2,3)14-19(4)5/h9-12,18H,6-8,13-14H2,1-5H3.
What are the key properties of 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide?
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide has a molecular weight of 326.51 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide is sourced from PubChem (CID 3695989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).