4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide

C12H12ClN3O3S — CID 63375727

IUPAC4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C12H12ClN3O3S/c13-9-7-11(12(17)15-5-6-20(14,18)19)16-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,17)(H2,14,18,19)
InChIKeyXTPASRDIOIYDON-UHFFFAOYSA-N
MW313.77 g/mol
LogP0.91
Rot. Bonds4

About 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide

4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide (PubChem CID 63375727) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
PubChem CID63375727
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C12H12ClN3O3S/c13-9-7-11(12(17)15-5-6-20(14,18)19)16-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,17)(H2,14,18,19)
InChIKeyXTPASRDIOIYDON-UHFFFAOYSA-N
XLogP0.91
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
CID 106396198
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide (CID 63375727) is 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide is NS(=O)(=O)CCNC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide?
The InChIKey is XTPASRDIOIYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c13-9-7-11(12(17)15-5-6-20(14,18)19)16-10-4-2-1-3-8(9)10/h1-4,7H,5-6H2,(H,15,17)(H2,14,18,19).
What are the key properties of 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide?
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide has a molecular weight of 313.77 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).