N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide

C17H22N2O7S2 — CID 71671446

IUPACN-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCCO)cc2)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C17H22N2O7S2/c1-26-14-4-7-16(17(12-14)28(24,25)19-9-11-21)13-2-5-15(6-3-13)27(22,23)18-8-10-20/h2-7,12,18-21H,8-11H2,1H3
InChIKeyOKNLXFQFQUWCDY-UHFFFAOYSA-N
MW430.50 g/mol
LogP-0.10
Rot. Bonds10

About N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide

N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide (PubChem CID 71671446) has the molecular formula C17H22N2O7S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide
PubChem CID71671446
Molecular FormulaC17H22N2O7S2
Molecular Weight430.50 g/mol
Exact Mass430.09
IUPAC NameN-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCCO)cc2)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C17H22N2O7S2/c1-26-14-4-7-16(17(12-14)28(24,25)19-9-11-21)13-2-5-15(6-3-13)27(22,23)18-8-10-20/h2-7,12,18-21H,8-11H2,1H3
InChIKeyOKNLXFQFQUWCDY-UHFFFAOYSA-N
XLogP-0.10
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
CID 6852147
(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid
CID 6540261
R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid
CID 446165
[(R)-1-(4''-ethoxy-biphenyl-4-sulfonylamino)-2-methyl-propyl]-phosphonic acid
CID 44422720
6-Methoxy-2-(4''-methoxy-biphenyl-4-sulfonylamino)-hex-4-ynoic acid
CID 4478236
(S)-2-(4'-Methoxy-[1,1'-biphenyl]-4-ylsulfonamido)-3-methylbutanoic acid
CID 10570702
US10689357, Example 25
CID 146249074
(R)-2-(4''-Methoxy-biphenyl-4-sulfonylamino)-3-methyl-butyric acid
CID 10570699
N-Hydroxy-2-(N-isopropoxy-4''-methoxybiphenyl-4-ylsulfonamido)acetamide
CID 44222827
4-(2,4-difluorophenyl)-N-(4-hydroxybutyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 44418714
[(R)-1-(4''-isopropoxy-biphenyl-4-sulfonylamino)-2-methyl-propyl]-phosphonic acid
CID 44422723
((R)-1-{4-[2-(4-methoxy-phenyl)-ethyl]-benzenesulfonylamino}-2-methyl-propyl)-phosphonic acid
CID 44422749

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide (CID 71671446) is N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)NCCO)cc2)c(S(=O)(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide?
The InChIKey is OKNLXFQFQUWCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7S2/c1-26-14-4-7-16(17(12-14)28(24,25)19-9-11-21)13-2-5-15(6-3-13)27(22,23)18-8-10-20/h2-7,12,18-21H,8-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide?
N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide has a molecular weight of 430.50 g/mol, XLogP of -0.10, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(2-hydroxyethylsulfamoyl)phenyl]-5-methoxybenzenesulfonamide is sourced from PubChem (CID 71671446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).