6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide

C17H11ClN2O4S — CID 75403994

IUPAC6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1
InChIInChI=1S/C17H11ClN2O4S/c18-14-4-5-16-12(8-14)7-13(10-24-16)17(21)20-25(22,23)15-3-1-2-11(6-15)9-19/h1-8H,10H2,(H,20,21)
InChIKeyOJINEVDSSNSTNI-UHFFFAOYSA-N
MW374.81 g/mol
LogP2.49
Rot. Bonds3

About 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide

6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide (PubChem CID 75403994) has the molecular formula C17H11ClN2O4S and a molecular weight of 374.81 g/mol. Its IUPAC name is 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
PubChem CID75403994
Molecular FormulaC17H11ClN2O4S
Molecular Weight374.81 g/mol
Exact Mass374.01
IUPAC Name6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
SMILESN#Cc1cccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1
InChIInChI=1S/C17H11ClN2O4S/c18-14-4-5-16-12(8-14)7-13(10-24-16)17(21)20-25(22,23)15-3-1-2-11(6-15)9-19/h1-8H,10H2,(H,20,21)
InChIKeyOJINEVDSSNSTNI-UHFFFAOYSA-N
XLogP2.49
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
CID 71894468
1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
CID 14763066
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride
CID 119454003
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 71940240
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N-(2,3-dihydroxypropyl)-2H-chromene-3-carboxamide
CID 66177068
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide (CID 75403994) is 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide is N#Cc1cccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1.
What is the InChIKey of 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
The InChIKey is OJINEVDSSNSTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4S/c18-14-4-5-16-12(8-14)7-13(10-24-16)17(21)20-25(22,23)15-3-1-2-11(6-15)9-19/h1-8H,10H2,(H,20,21).
What are the key properties of 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide has a molecular weight of 374.81 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 75403994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).