4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide

C14H24N2O3S — CID 61146670

IUPAC4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N(CCO)C(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-9-15-20(18,19)14-7-5-13(6-8-14)16(10-11-17)12(2)3/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyOTTIPSWAUAAGGU-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.58
Rot. Bonds8

About 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide

4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide (PubChem CID 61146670) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
PubChem CID61146670
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(N(CCO)C(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-4-9-15-20(18,19)14-7-5-13(6-8-14)16(10-11-17)12(2)3/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeyOTTIPSWAUAAGGU-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
methyl 2-[4-(ethylsulfamoyl)-N-propan-2-ylanilino]acetate
CID 62007235
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-(2-chloropropyl)-N-propylbenzenesulfonamide
CID 55220389
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide (CID 61146670) is 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(N(CCO)C(C)C)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide?
The InChIKey is OTTIPSWAUAAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-9-15-20(18,19)14-7-5-13(6-8-14)16(10-11-17)12(2)3/h5-8,12,15,17H,4,9-11H2,1-3H3.
What are the key properties of 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide?
4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 61146670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).