2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide

C18H19ClN2O4S — CID 18115177

IUPAC2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C18H19ClN2O4S/c1-21(2)26(23,24)12-7-8-15(19)14(11-12)18(22)20-16-9-10-25-17-6-4-3-5-13(16)17/h3-8,11,16H,9-10H2,1-2H3,(H,20,22)
InChIKeyAMQYVYKRHNVYRV-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.84
Rot. Bonds4

About 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide

2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide (PubChem CID 18115177) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
PubChem CID18115177
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCOc3ccccc32)c1
InChIInChI=1S/C18H19ClN2O4S/c1-21(2)26(23,24)12-7-8-15(19)14(11-12)18(22)20-16-9-10-25-17-6-4-3-5-13(16)17/h3-8,11,16H,9-10H2,1-2H3,(H,20,22)
InChIKeyAMQYVYKRHNVYRV-UHFFFAOYSA-N
XLogP2.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 39952249
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
CID 31284339
N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
CID 46978872
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55523609
2-chloro-5-(dimethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55339904
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9193334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide (CID 18115177) is 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCOc3ccccc32)c1.
What is the InChIKey of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide?
The InChIKey is AMQYVYKRHNVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-21(2)26(23,24)12-7-8-15(19)14(11-12)18(22)20-16-9-10-25-17-6-4-3-5-13(16)17/h3-8,11,16H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide?
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 18115177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).