2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide

C14H24N2O4S — CID 106245938

IUPAC2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCCC(O)COC
InChIInChI=1S/C14H24N2O4S/c1-3-9-16-21(18,19)14-7-5-4-6-13(14)15-10-8-12(17)11-20-2/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyIVNACNSNOQOPCO-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.18
Rot. Bonds10

About 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide

2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide (PubChem CID 106245938) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
PubChem CID106245938
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCCC(O)COC
InChIInChI=1S/C14H24N2O4S/c1-3-9-16-21(18,19)14-7-5-4-6-13(14)15-10-8-12(17)11-20-2/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyIVNACNSNOQOPCO-UHFFFAOYSA-N
XLogP1.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(difluoromethylsulfonyl)anilino]-1-methoxybutan-2-ol
CID 103875676
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
3-methoxy-2-[2-(propylsulfamoyl)anilino]propanoic acid
CID 81083785
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-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
CID 106242625
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide (CID 106245938) is 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NCCC(O)COC.
What is the InChIKey of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is IVNACNSNOQOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-9-16-21(18,19)14-7-5-4-6-13(14)15-10-8-12(17)11-20-2/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide?
2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 106245938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).