N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide

C14H15N3O3S — CID 51213435

IUPACN-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-10(17-14(18)11-5-7-16-8-6-11)12-3-2-4-13(9-12)21(15,19)20/h2-10H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyLIIDWLHBWZAEMX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.22
Rot. Bonds4

About N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide

N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 51213435) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID51213435
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-10(17-14(18)11-5-7-16-8-6-11)12-3-2-4-13(9-12)21(15,19)20/h2-10H,1H3,(H,17,18)(H2,15,19,20)
InChIKeyLIIDWLHBWZAEMX-UHFFFAOYSA-N
XLogP1.22
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55395964
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 122159478
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
N-[1-(3-methylsulfonylphenyl)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166389454
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (CID 51213435) is N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is LIIDWLHBWZAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10(17-14(18)11-5-7-16-8-6-11)12-3-2-4-13(9-12)21(15,19)20/h2-10H,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51213435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).