5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide

C19H21ClN2O6S — CID 67658342

IUPAC5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)OC(S(N)(=O)=O)CC2CNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C19H21ClN2O6S/c1-26-13-4-5-14-11(7-18(29(21,24)25)28-17(14)9-13)10-22-19(23)15-8-12(20)3-6-16(15)27-2/h3-6,8-9,11,18H,7,10H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyLGWPNJPJUKYEGM-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.27
Rot. Bonds6

About 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide (PubChem CID 67658342) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
PubChem CID67658342
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC Name5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)OC(S(N)(=O)=O)CC2CNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C19H21ClN2O6S/c1-26-13-4-5-14-11(7-18(29(21,24)25)28-17(14)9-13)10-22-19(23)15-8-12(20)3-6-16(15)27-2/h3-6,8-9,11,18H,7,10H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyLGWPNJPJUKYEGM-UHFFFAOYSA-N
XLogP2.27
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide with MolForge

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Related Compounds

5-chloro-N-[[6-(ethylcarbamoylsulfamoyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
CID 18973615
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
5-chloro-N-[[7-ethoxy-6-(methylcarbamoylsulfamoyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-2-methoxybenzamide
CID 18973639
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
CID 100530036
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
CID 18973598
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide (CID 67658342) is 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide is COc1ccc2c(c1)OC(S(N)(=O)=O)CC2CNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
The InChIKey is LGWPNJPJUKYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c1-26-13-4-5-14-11(7-18(29(21,24)25)28-17(14)9-13)10-22-19(23)15-8-12(20)3-6-16(15)27-2/h3-6,8-9,11,18H,7,10H2,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide has a molecular weight of 440.91 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(7-methoxy-2-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide is sourced from PubChem (CID 67658342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).