4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide

C14H15N3O3S — CID 92520306

IUPAC4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccnc1
InChIInChI=1S/C14H15N3O3S/c1-10(12-3-2-8-16-9-12)17-21(19,20)13-6-4-11(5-7-13)14(15)18/h2-10,17H,1H3,(H2,15,18)/t10-/m0/s1
InChIKeyJFEXHZUSPWRIQN-JTQLQIEISA-N
MW305.36 g/mol
LogP1.22
Rot. Bonds5

About 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide

4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide (PubChem CID 92520306) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
PubChem CID92520306
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccnc1
InChIInChI=1S/C14H15N3O3S/c1-10(12-3-2-8-16-9-12)17-21(19,20)13-6-4-11(5-7-13)14(15)18/h2-10,17H,1H3,(H2,15,18)/t10-/m0/s1
InChIKeyJFEXHZUSPWRIQN-JTQLQIEISA-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

3-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523805
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
methyl 3-methyl-4-(1-pyridin-3-ylethylsulfamoyl)benzoate
CID 49454216
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110724502
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide?
The IUPAC name of 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide (CID 92520306) is 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide is C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)c1cccnc1.
What is the InChIKey of 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide?
The InChIKey is JFEXHZUSPWRIQN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10(12-3-2-8-16-9-12)17-21(19,20)13-6-4-11(5-7-13)14(15)18/h2-10,17H,1H3,(H2,15,18)/t10-/m0/s1.
What are the key properties of 4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide?
4-[[(1S)-1-pyridin-3-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-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 92520306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).