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

C12H14N4O3S — CID 62155502

IUPAC2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCCS(N)(=O)=O)c2ccccc2n1
InChIInChI=1S/C12H14N4O3S/c13-11-7-9(8-3-1-2-4-10(8)16-11)12(17)15-5-6-20(14,18)19/h1-4,7H,5-6H2,(H2,13,16)(H,15,17)(H2,14,18,19)
InChIKeyBIFCRFDVMFUPPD-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.16
Rot. Bonds4

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

2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide (PubChem CID 62155502) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
PubChem CID62155502
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCCS(N)(=O)=O)c2ccccc2n1
InChIInChI=1S/C12H14N4O3S/c13-11-7-9(8-3-1-2-4-10(8)16-11)12(17)15-5-6-20(14,18)19/h1-4,7H,5-6H2,(H2,13,16)(H,15,17)(H2,14,18,19)
InChIKeyBIFCRFDVMFUPPD-UHFFFAOYSA-N
XLogP-0.16
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
CID 115522077
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
CID 106280040
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide (CID 62155502) is 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide is Nc1cc(C(=O)NCCS(N)(=O)=O)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide?
The InChIKey is BIFCRFDVMFUPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-11-7-9(8-3-1-2-4-10(8)16-11)12(17)15-5-6-20(14,18)19/h1-4,7H,5-6H2,(H2,13,16)(H,15,17)(H2,14,18,19).
What are the key properties of 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide?
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 62155502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).