4-(6-amino-3-oxohexyl)benzenesulfonamide

C12H18N2O3S — CID 46888518

IUPAC4-(6-amino-3-oxohexyl)benzenesulfonamide
SMILESNCCCC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c13-9-1-2-11(15)6-3-10-4-7-12(8-5-10)18(14,16)17/h4-5,7-8H,1-3,6,9,13H2,(H2,14,16,17)
InChIKeySFANCULTEIAOQB-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.57
Rot. Bonds7

About 4-(6-amino-3-oxohexyl)benzenesulfonamide

4-(6-amino-3-oxohexyl)benzenesulfonamide (PubChem CID 46888518) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(6-amino-3-oxohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-amino-3-oxohexyl)benzenesulfonamide
PubChem CID46888518
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(6-amino-3-oxohexyl)benzenesulfonamide
SMILESNCCCC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c13-9-1-2-11(15)6-3-10-4-7-12(8-5-10)18(14,16)17/h4-5,7-8H,1-3,6,9,13H2,(H2,14,16,17)
InChIKeySFANCULTEIAOQB-UHFFFAOYSA-N
XLogP0.57
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-oxohexyl)benzenesulfonamide?
The IUPAC name of 4-(6-amino-3-oxohexyl)benzenesulfonamide (CID 46888518) is 4-(6-amino-3-oxohexyl)benzenesulfonamide.
What is the SMILES notation for 4-(6-amino-3-oxohexyl)benzenesulfonamide?
The canonical SMILES for 4-(6-amino-3-oxohexyl)benzenesulfonamide is NCCCC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(6-amino-3-oxohexyl)benzenesulfonamide?
The InChIKey is SFANCULTEIAOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-9-1-2-11(15)6-3-10-4-7-12(8-5-10)18(14,16)17/h4-5,7-8H,1-3,6,9,13H2,(H2,14,16,17).
What are the key properties of 4-(6-amino-3-oxohexyl)benzenesulfonamide?
4-(6-amino-3-oxohexyl)benzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3-oxohexyl)benzenesulfonamide is sourced from PubChem (CID 46888518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).