1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide

C10H16N2O3S — CID 118327460

IUPAC1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)Cc1ccc(NO)cc1
InChIInChI=1S/C10H16N2O3S/c1-2-7-11-16(14,15)8-9-3-5-10(12-13)6-4-9/h3-6,11-13H,2,7-8H2,1H3
InChIKeyQGMXFBDHCSGGOU-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.32
Rot. Bonds6

About 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide

1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide (PubChem CID 118327460) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
PubChem CID118327460
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)Cc1ccc(NO)cc1
InChIInChI=1S/C10H16N2O3S/c1-2-7-11-16(14,15)8-9-3-5-10(12-13)6-4-9/h3-6,11-13H,2,7-8H2,1H3
InChIKeyQGMXFBDHCSGGOU-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
ethyl 2-[4-(butylsulfamoylmethyl)phenyl]acetate
CID 58942884
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
1-phenoxy-N-propylmethanesulfonamide
CID 67759583
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
1-phenyl-N-(2-triethoxysilylethyl)methanesulfonamide
CID 68509639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide?
The IUPAC name of 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide (CID 118327460) is 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide.
What is the SMILES notation for 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide?
The canonical SMILES for 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide is CCCNS(=O)(=O)Cc1ccc(NO)cc1.
What is the InChIKey of 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide?
The InChIKey is QGMXFBDHCSGGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-7-11-16(14,15)8-9-3-5-10(12-13)6-4-9/h3-6,11-13H,2,7-8H2,1H3.
What are the key properties of 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide?
1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 118327460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).