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

C15H25NO3S — CID 841735

IUPAC4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)10-16(11-13(3)4)20(17,18)15-8-6-14(19-5)7-9-15/h6-9,12-13H,10-11H2,1-5H3
InChIKeySRKRJBHMYDPMMV-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.00
Rot. Bonds7

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

4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 841735) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID841735
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)10-16(11-13(3)4)20(17,18)15-8-6-14(19-5)7-9-15/h6-9,12-13H,10-11H2,1-5H3
InChIKeySRKRJBHMYDPMMV-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 841735) is 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is SRKRJBHMYDPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-12(2)10-16(11-13(3)4)20(17,18)15-8-6-14(19-5)7-9-15/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide?
4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 841735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).