N-(1-chloropropan-2-yl)pyridine-3-sulfonamide

C8H11ClN2O2S — CID 65030805

IUPACN-(1-chloropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCl)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C8H11ClN2O2S/c1-7(5-9)11-14(12,13)8-3-2-4-10-6-8/h2-4,6-7,11H,5H2,1H3
InChIKeyMRNREKOYVLZKMJ-UHFFFAOYSA-N
MW234.71 g/mol
LogP0.99
Rot. Bonds4

About N-(1-chloropropan-2-yl)pyridine-3-sulfonamide

N-(1-chloropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 65030805) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)pyridine-3-sulfonamide
PubChem CID65030805
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC NameN-(1-chloropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCl)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C8H11ClN2O2S/c1-7(5-9)11-14(12,13)8-3-2-4-10-6-8/h2-4,6-7,11H,5H2,1H3
InChIKeyMRNREKOYVLZKMJ-UHFFFAOYSA-N
XLogP0.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
N-propylpyridine-3-sulfonamide
CID 43258995
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
CID 65031220
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
[4-[(2S)-2-(pyridin-3-ylsulfonylamino)propanoyl]oxyphenyl] (2S)-2-(pyridin-3-ylsulfonylamino)propanoate
CID 142590055

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)pyridine-3-sulfonamide (CID 65030805) is N-(1-chloropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)pyridine-3-sulfonamide is CC(CCl)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is MRNREKOYVLZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-7(5-9)11-14(12,13)8-3-2-4-10-6-8/h2-4,6-7,11H,5H2,1H3.
What are the key properties of N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 234.71 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65030805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).