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

C12H20N2O5S2 — CID 106341929

IUPACN-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H20N2O5S2/c1-3-13-20(16,17)9-8-14-21(18,19)12-6-4-11(5-7-12)10(2)15/h4-7,10,13-15H,3,8-9H2,1-2H3
InChIKeyQPGNNKHXEMOTQX-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.04
Rot. Bonds8

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

N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 106341929) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID106341929
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H20N2O5S2/c1-3-13-20(16,17)9-8-14-21(18,19)12-6-4-11(5-7-12)10(2)15/h4-7,10,13-15H,3,8-9H2,1-2H3
InChIKeyQPGNNKHXEMOTQX-UHFFFAOYSA-N
XLogP-0.04
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106335878
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
N-[2-(phenylsulfamoyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110408296
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 63200532

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide (CID 106341929) is N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is QPGNNKHXEMOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-3-13-20(16,17)9-8-14-21(18,19)12-6-4-11(5-7-12)10(2)15/h4-7,10,13-15H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide?
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 106341929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).