3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide

C13H21NO2S — CID 8893165

IUPAC3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO2S/c1-5-6-12(4)14-17(15,16)13-8-7-10(2)11(3)9-13/h7-9,12,14H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyWFDQITVVTOALSU-GFCCVEGCSA-N
MW255.38 g/mol
LogP2.77
Rot. Bonds5

About 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide

3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide (PubChem CID 8893165) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
PubChem CID8893165
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
SMILESCCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO2S/c1-5-6-12(4)14-17(15,16)13-8-7-10(2)11(3)9-13/h7-9,12,14H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyWFDQITVVTOALSU-GFCCVEGCSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114132275
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 94027782
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
4-chloro-N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046336
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide (CID 8893165) is 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide is CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide?
The InChIKey is WFDQITVVTOALSU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-6-12(4)14-17(15,16)13-8-7-10(2)11(3)9-13/h7-9,12,14H,5-6H2,1-4H3/t12-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide?
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 8893165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).