N-propylpyridine-3-sulfonamide

C8H12N2O2S — CID 43258995

IUPACN-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C8H12N2O2S/c1-2-5-10-13(11,12)8-4-3-6-9-7-8/h3-4,6-7,10H,2,5H2,1H3
InChIKeySZMSPBFXVYNAFA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.77
Rot. Bonds4

About N-propylpyridine-3-sulfonamide

N-propylpyridine-3-sulfonamide (PubChem CID 43258995) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-propylpyridine-3-sulfonamide
PubChem CID43258995
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-propylpyridine-3-sulfonamide
SMILESCCCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C8H12N2O2S/c1-2-5-10-13(11,12)8-4-3-6-9-7-8/h3-4,6-7,10H,2,5H2,1H3
InChIKeySZMSPBFXVYNAFA-UHFFFAOYSA-N
XLogP0.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641

Frequently Asked Questions

What is the IUPAC name of N-propylpyridine-3-sulfonamide?
The IUPAC name of N-propylpyridine-3-sulfonamide (CID 43258995) is N-propylpyridine-3-sulfonamide.
What is the SMILES notation for N-propylpyridine-3-sulfonamide?
The canonical SMILES for N-propylpyridine-3-sulfonamide is CCCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-propylpyridine-3-sulfonamide?
The InChIKey is SZMSPBFXVYNAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-5-10-13(11,12)8-4-3-6-9-7-8/h3-4,6-7,10H,2,5H2,1H3.
What are the key properties of N-propylpyridine-3-sulfonamide?
N-propylpyridine-3-sulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 43258995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).