N,4-bis(2-methylpropyl)benzenesulfonamide

C14H23NO2S — CID 4672174

IUPACN,4-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-11(2)9-13-5-7-14(8-6-13)18(16,17)15-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyLJIRLEMRTNVIOV-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.82
Rot. Bonds6

About N,4-bis(2-methylpropyl)benzenesulfonamide

N,4-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 4672174) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N,4-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-bis(2-methylpropyl)benzenesulfonamide
PubChem CID4672174
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN,4-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H23NO2S/c1-11(2)9-13-5-7-14(8-6-13)18(16,17)15-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyLJIRLEMRTNVIOV-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N,4-bis(2-methylpropyl)benzenesulfonamide (CID 4672174) is N,4-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N,4-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N,4-bis(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N,4-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is LJIRLEMRTNVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(2)9-13-5-7-14(8-6-13)18(16,17)15-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of N,4-bis(2-methylpropyl)benzenesulfonamide?
N,4-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 4672174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).