4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

C11H18N2O5S2 — CID 43546344

IUPAC4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O5S2/c1-9(14)10-3-5-11(6-4-10)20(17,18)13-8-7-12-19(2,15)16/h3-6,9,12-14H,7-8H2,1-2H3
InChIKeyQXKVFCDBNCKART-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.43
Rot. Bonds7

About 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide

4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (PubChem CID 43546344) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
PubChem CID43546344
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Name4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O5S2/c1-9(14)10-3-5-11(6-4-10)20(17,18)13-8-7-12-19(2,15)16/h3-6,9,12-14H,7-8H2,1-2H3
InChIKeyQXKVFCDBNCKART-UHFFFAOYSA-N
XLogP-0.43
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 106341929
3-(1-hydroxyethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106341917
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide (CID 43546344) is 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is QXKVFCDBNCKART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-9(14)10-3-5-11(6-4-10)20(17,18)13-8-7-12-19(2,15)16/h3-6,9,12-14H,7-8H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide?
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 43546344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).