4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide

C10H16N2O3S — CID 5019568

IUPAC4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O3S/c1-8(7-15-2)12-16(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyZROIZBDHDPRHDR-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.58
Rot. Bonds5

About 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide

4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 5019568) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID5019568
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O3S/c1-8(7-15-2)12-16(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyZROIZBDHDPRHDR-UHFFFAOYSA-N
XLogP0.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 5019568) is 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is ZROIZBDHDPRHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(7-15-2)12-16(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 5019568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).