4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide

C14H15N3O3S — CID 92520286

IUPAC4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccn1
InChIInChI=1S/C14H15N3O3S/c1-10(13-4-2-3-9-16-13)17-21(19,20)12-7-5-11(6-8-12)14(15)18/h2-10,17H,1H3,(H2,15,18)/t10-/m1/s1
InChIKeyAAQGMKIBRGHLRE-SNVBAGLBSA-N
MW305.36 g/mol
LogP1.22
Rot. Bonds5

About 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide

4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide (PubChem CID 92520286) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
PubChem CID92520286
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccn1
InChIInChI=1S/C14H15N3O3S/c1-10(13-4-2-3-9-16-13)17-21(19,20)12-7-5-11(6-8-12)14(15)18/h2-10,17H,1H3,(H2,15,18)/t10-/m1/s1
InChIKeyAAQGMKIBRGHLRE-SNVBAGLBSA-N
XLogP1.22
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide (CID 92520286) is 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide is C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccccn1.
What is the InChIKey of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide?
The InChIKey is AAQGMKIBRGHLRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10(13-4-2-3-9-16-13)17-21(19,20)12-7-5-11(6-8-12)14(15)18/h2-10,17H,1H3,(H2,15,18)/t10-/m1/s1.
What are the key properties of 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide?
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 92520286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).