4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide

C11H18N2O3S — CID 171384404

IUPAC4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(C)NCC(O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-8(2)13-7-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6,8,11,13-14H,7H2,1-2H3,(H2,12,15,16)
InChIKeyGRENTFBLYFUOGI-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.37
Rot. Bonds5

About 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide

4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 171384404) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID171384404
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(C)NCC(O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-8(2)13-7-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6,8,11,13-14H,7H2,1-2H3,(H2,12,15,16)
InChIKeyGRENTFBLYFUOGI-UHFFFAOYSA-N
XLogP0.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide (CID 171384404) is 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide is CC(C)NCC(O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is GRENTFBLYFUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(2)13-7-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6,8,11,13-14H,7H2,1-2H3,(H2,12,15,16).
What are the key properties of 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide?
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 171384404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).