3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide

C17H16ClN3O5S — CID 130406186

IUPAC3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide
SMILESCCOc1cc(NS(=O)(=O)c2cc(Cl)c(O)c(C(N)=O)c2)cc2[nH]ccc12
InChIInChI=1S/C17H16ClN3O5S/c1-2-26-15-6-9(5-14-11(15)3-4-20-14)21-27(24,25)10-7-12(17(19)23)16(22)13(18)8-10/h3-8,20-22H,2H2,1H3,(H2,19,23)
InChIKeyYFBHMIKHEXPGAP-UHFFFAOYSA-N
MW409.85 g/mol
LogP2.83
Rot. Bonds6

About 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide

3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide (PubChem CID 130406186) has the molecular formula C17H16ClN3O5S and a molecular weight of 409.85 g/mol. Its IUPAC name is 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide
PubChem CID130406186
Molecular FormulaC17H16ClN3O5S
Molecular Weight409.85 g/mol
Exact Mass409.05
IUPAC Name3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide
SMILESCCOc1cc(NS(=O)(=O)c2cc(Cl)c(O)c(C(N)=O)c2)cc2[nH]ccc12
InChIInChI=1S/C17H16ClN3O5S/c1-2-26-15-6-9(5-14-11(15)3-4-20-14)21-27(24,25)10-7-12(17(19)23)16(22)13(18)8-10/h3-8,20-22H,2H2,1H3,(H2,19,23)
InChIKeyYFBHMIKHEXPGAP-UHFFFAOYSA-N
XLogP2.83
TPSA134.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-[(1-ethylindol-5-yl)sulfamoyl]-2-hydroxybenzamide
CID 130406144
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
CID 171134247
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-chloro-4,5-diethoxybenzamide
CID 82268164
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
2-chloro-4-ethoxynaphthalen-1-ol
CID 121473034
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
CID 110730867
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide?
The IUPAC name of 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide (CID 130406186) is 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide is CCOc1cc(NS(=O)(=O)c2cc(Cl)c(O)c(C(N)=O)c2)cc2[nH]ccc12.
What is the InChIKey of 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide?
The InChIKey is YFBHMIKHEXPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5S/c1-2-26-15-6-9(5-14-11(15)3-4-20-14)21-27(24,25)10-7-12(17(19)23)16(22)13(18)8-10/h3-8,20-22H,2H2,1H3,(H2,19,23).
What are the key properties of 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide?
3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide has a molecular weight of 409.85 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(4-ethoxy-1H-indol-6-yl)sulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 130406186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).