2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide

C18H23N3O6S — CID 130406270

IUPAC2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cc(C(N)=O)c(O)cc2NCCO)cc1
InChIInChI=1S/C18H23N3O6S/c1-11(2)27-13-5-3-12(4-6-13)21-28(25,26)17-9-14(18(19)24)16(23)10-15(17)20-7-8-22/h3-6,9-11,20-23H,7-8H2,1-2H3,(H2,19,24)
InChIKeyGLAPHNAHXJKBOA-UHFFFAOYSA-N
MW409.46 g/mol
LogP1.48
Rot. Bonds9

About 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide

2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide (PubChem CID 130406270) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide
PubChem CID130406270
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cc(C(N)=O)c(O)cc2NCCO)cc1
InChIInChI=1S/C18H23N3O6S/c1-11(2)27-13-5-3-12(4-6-13)21-28(25,26)17-9-14(18(19)24)16(23)10-15(17)20-7-8-22/h3-6,9-11,20-23H,7-8H2,1-2H3,(H2,19,24)
InChIKeyGLAPHNAHXJKBOA-UHFFFAOYSA-N
XLogP1.48
TPSA150.98 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylamino)-2-hydroxy-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide
CID 130406385
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide
CID 56573264
4-[(2-amino-2-methanimidoyliminoethyl)amino]-2-hydroxy-5-(4-propan-2-yloxyanilino)sulfanylbenzamide
CID 130420875
6-[[5-carbamoyl-4-hydroxy-2-[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]ethylamino]phenyl]sulfonylamino]-1H-indole-4-carboxylic acid
CID 138472997
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
4-bromo-N-(4-propan-2-yloxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3442411
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502673
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide (CID 130406270) is 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide is CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(N)=O)c(O)cc2NCCO)cc1.
What is the InChIKey of 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide?
The InChIKey is GLAPHNAHXJKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-11(2)27-13-5-3-12(4-6-13)21-28(25,26)17-9-14(18(19)24)16(23)10-15(17)20-7-8-22/h3-6,9-11,20-23H,7-8H2,1-2H3,(H2,19,24).
What are the key properties of 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide?
2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide has a molecular weight of 409.46 g/mol, XLogP of 1.48, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 130406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).