4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

C13H21NO2S — CID 19681167

IUPAC4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-10(2)9-12-5-7-13(8-6-12)17(15,16)14-11(3)4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyFZYYEZXWDQAHOK-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.57
Rot. Bonds5

About 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 19681167) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID19681167
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-10(2)9-12-5-7-13(8-6-12)17(15,16)14-11(3)4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyFZYYEZXWDQAHOK-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
4-(2-chloro-3-methoxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 63205570
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683354
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 19681167) is 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FZYYEZXWDQAHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(2)9-12-5-7-13(8-6-12)17(15,16)14-11(3)4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19681167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).