[2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide

C11H18N2O3S — CID 143411877

IUPAC[2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide
SMILESNc1ccc(CCCCO)cc1CS(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c12-11-5-4-9(3-1-2-6-14)7-10(11)8-17(13,15)16/h4-5,7,14H,1-3,6,8,12H2,(H2,13,15,16)
InChIKeyOPAJDIZBLDHQDB-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.37
Rot. Bonds6

About [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide

[2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide (PubChem CID 143411877) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide
PubChem CID143411877
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name[2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide
SMILESNc1ccc(CCCCO)cc1CS(N)(=O)=O
InChIInChI=1S/C11H18N2O3S/c12-11-5-4-9(3-1-2-6-14)7-10(11)8-17(13,15)16/h4-5,7,14H,1-3,6,8,12H2,(H2,13,15,16)
InChIKeyOPAJDIZBLDHQDB-UHFFFAOYSA-N
XLogP0.37
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide?
The IUPAC name of [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide (CID 143411877) is [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide.
What is the SMILES notation for [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide?
The canonical SMILES for [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide is Nc1ccc(CCCCO)cc1CS(N)(=O)=O.
What is the InChIKey of [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide?
The InChIKey is OPAJDIZBLDHQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c12-11-5-4-9(3-1-2-6-14)7-10(11)8-17(13,15)16/h4-5,7,14H,1-3,6,8,12H2,(H2,13,15,16).
What are the key properties of [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide?
[2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(4-hydroxybutyl)phenyl]methanesulfonamide is sourced from PubChem (CID 143411877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).