2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide

C13H22N2O4S — CID 106186569

IUPAC2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(CO)COC
InChIInChI=1S/C13H22N2O4S/c1-3-8-14-20(17,18)13-7-5-4-6-12(13)15-11(9-16)10-19-2/h4-7,11,14-16H,3,8-10H2,1-2H3
InChIKeyJPDVDFPNMZYXRG-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.79
Rot. Bonds9

About 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide (PubChem CID 106186569) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
PubChem CID106186569
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC(CO)COC
InChIInChI=1S/C13H22N2O4S/c1-3-8-14-20(17,18)13-7-5-4-6-12(13)15-11(9-16)10-19-2/h4-7,11,14-16H,3,8-10H2,1-2H3
InChIKeyJPDVDFPNMZYXRG-UHFFFAOYSA-N
XLogP0.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
CID 81083785
2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
CID 106186517
2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
CID 106245938
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
CID 62004727
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
N-propyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
CID 106282881
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide (CID 106186569) is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC(CO)COC.
What is the InChIKey of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide?
The InChIKey is JPDVDFPNMZYXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-8-14-20(17,18)13-7-5-4-6-12(13)15-11(9-16)10-19-2/h4-7,11,14-16H,3,8-10H2,1-2H3.
What are the key properties of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide?
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 106186569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).