6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide

C17H11ClN2O4S — CID 71894468

IUPAC6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C17H11ClN2O4S/c18-14-3-6-16-12(8-14)7-13(10-24-16)17(21)20-25(22,23)15-4-1-11(9-19)2-5-15/h1-8H,10H2,(H,20,21)
InChIKeyQPUFXDZRFKTIAD-UHFFFAOYSA-N
MW374.81 g/mol
LogP2.49
Rot. Bonds3

About 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide

6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide (PubChem CID 71894468) has the molecular formula C17H11ClN2O4S and a molecular weight of 374.81 g/mol. Its IUPAC name is 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
PubChem CID71894468
Molecular FormulaC17H11ClN2O4S
Molecular Weight374.81 g/mol
Exact Mass374.01
IUPAC Name6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1
InChIInChI=1S/C17H11ClN2O4S/c18-14-3-6-16-12(8-14)7-13(10-24-16)17(21)20-25(22,23)15-4-1-11(9-19)2-5-15/h1-8H,10H2,(H,20,21)
InChIKeyQPUFXDZRFKTIAD-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-(3-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide
CID 75403994
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
N-(1-amino-1-oxopropan-2-yl)-6-chloro-2H-chromene-3-carboxamide
CID 47014819
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-chloro-N-(6-hydroxyhexyl)-2H-chromene-3-carboxamide
CID 103919029
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
6-chloro-N-[1-(hydroxymethyl)cyclobutyl]-2H-chromene-3-carboxamide
CID 115878601
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-2H-chromene-3-carboxamide
CID 103772938
6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
(2S)-2-[(6-chloro-2H-chromene-3-carbonyl)amino]pentanoic acid
CID 107563784

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide (CID 71894468) is 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide is N#Cc1ccc(S(=O)(=O)NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1.
What is the InChIKey of 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
The InChIKey is QPUFXDZRFKTIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4S/c18-14-3-6-16-12(8-14)7-13(10-24-16)17(21)20-25(22,23)15-4-1-11(9-19)2-5-15/h1-8H,10H2,(H,20,21).
What are the key properties of 6-chloro-N-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide?
6-chloro-N-(4-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-(4-cyanophenyl)sulfonyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 71894468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).