N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C21H19ClN2O4S2 — CID 60574675

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCOc2c(Cl)cccc21)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C21H19ClN2O4S2/c22-18-8-2-7-17-19(9-10-28-20(17)18)24-21(25)14-4-1-6-16(12-14)30(26,27)23-13-15-5-3-11-29-15/h1-8,11-12,19,23H,9-10,13H2,(H,24,25)
InChIKeyWOPBPLZJGFLARY-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.13
Rot. Bonds6

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 60574675) has the molecular formula C21H19ClN2O4S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID60574675
Molecular FormulaC21H19ClN2O4S2
Molecular Weight462.98 g/mol
Exact Mass462.05
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCOc2c(Cl)cccc21)c1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C21H19ClN2O4S2/c22-18-8-2-7-17-19(9-10-28-20(17)18)24-21(25)14-4-1-6-16(12-14)30(26,27)23-13-15-5-3-11-29-15/h1-8,11-12,19,23H,9-10,13H2,(H,24,25)
InChIKeyWOPBPLZJGFLARY-UHFFFAOYSA-N
XLogP4.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-(2-methylpiperidin-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120598211
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60576311
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119612805
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3,5-dinitrobenzamide
CID 60572063
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41411759
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 124882769
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 60572091
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 60574675) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(NC1CCOc2c(Cl)cccc21)c1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WOPBPLZJGFLARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S2/c22-18-8-2-7-17-19(9-10-28-20(17)18)24-21(25)14-4-1-6-16(12-14)30(26,27)23-13-15-5-3-11-29-15/h1-8,11-12,19,23H,9-10,13H2,(H,24,25).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 462.98 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 60574675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).