N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide

C18H24N2O6S2 — CID 46232296

IUPACN-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
SMILESCCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3
InChIKeyLHKCYBKBDLNTOT-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.82
Rot. Bonds9

About N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide

N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide (PubChem CID 46232296) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
PubChem CID46232296
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC NameN-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
SMILESCCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3
InChIKeyLHKCYBKBDLNTOT-UHFFFAOYSA-N
XLogP1.82
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
methyl 2-[ethyl-(3-hydroxyphenyl)sulfonylamino]acetate
CID 81258786
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
3-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107481602
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
N-(2-bromoethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 80676549
N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
CID 107736872
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
3-[2-cyanoethyl(ethyl)sulfamoyl]benzoic acid
CID 54876671
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide (CID 46232296) is N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide is CCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide?
The InChIKey is LHKCYBKBDLNTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide?
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide has a molecular weight of 428.53 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 46232296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).