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

C14H24N2O2S — CID 1253155

IUPAC4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(2)9-16(10-12(3)4)19(17,18)14-7-5-13(15)6-8-14/h5-8,11-12H,9-10,15H2,1-4H3
InChIKeySIQNRECRBYIFHW-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.57
Rot. Bonds6

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

4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 1253155) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID1253155
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(2)9-16(10-12(3)4)19(17,18)14-7-5-13(15)6-8-14/h5-8,11-12H,9-10,15H2,1-4H3
InChIKeySIQNRECRBYIFHW-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 1253155) is 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is SIQNRECRBYIFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)9-16(10-12(3)4)19(17,18)14-7-5-13(15)6-8-14/h5-8,11-12H,9-10,15H2,1-4H3.
What are the key properties of 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide?
4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 1253155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).