N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide

C14H15N3O3S — CID 110839438

IUPACN-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
SMILESNCCc1ccc(S(=O)(=O)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-8-7-11-3-5-13(6-4-11)21(19,20)17-14(18)12-2-1-9-16-10-12/h1-6,9-10H,7-8,15H2,(H,17,18)
InChIKeyLQTKTHCCLIDCFM-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.70
Rot. Bonds5

About N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide

N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide (PubChem CID 110839438) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
PubChem CID110839438
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
SMILESNCCc1ccc(S(=O)(=O)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-8-7-11-3-5-13(6-4-11)21(19,20)17-14(18)12-2-1-9-16-10-12/h1-6,9-10H,7-8,15H2,(H,17,18)
InChIKeyLQTKTHCCLIDCFM-UHFFFAOYSA-N
XLogP0.70
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-[4-[2-(hexanoylamino)ethyl]phenyl]sulfonylpyridine-3-carboxamide
CID 70214048
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110839455
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
CID 144935099
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132
N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide
CID 6611245
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563
N-(3-amino-2-chloropropyl)sulfonylpyridine-3-carboxamide
CID 141388137
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155565992
6-amino-N-[4-(2-aminoethyl)phenyl]sulfonylhexanamide
CID 110839422

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide (CID 110839438) is N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide is NCCc1ccc(S(=O)(=O)NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide?
The InChIKey is LQTKTHCCLIDCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-8-7-11-3-5-13(6-4-11)21(19,20)17-14(18)12-2-1-9-16-10-12/h1-6,9-10H,7-8,15H2,(H,17,18).
What are the key properties of N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide?
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 110839438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).