6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide

C11H17ClN2O2S — CID 43429215

IUPAC6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)C(C)N(C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)9(3)14(4)17(15,16)10-5-6-11(12)13-7-10/h5-9H,1-4H3
InChIKeySCFBEEHLEFIYMJ-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.40
Rot. Bonds4

About 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide

6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 43429215) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID43429215
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)C(C)N(C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)9(3)14(4)17(15,16)10-5-6-11(12)13-7-10/h5-9H,1-4H3
InChIKeySCFBEEHLEFIYMJ-UHFFFAOYSA-N
XLogP2.40
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-hydroxy-2-methylpropyl)-N-propan-2-ylpyridine-3-sulfonamide
CID 71844517
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
ethyl 2-[(6-chloro-3-pyridinyl)sulfonyl-propan-2-ylamino]acetate
CID 61047092
3-amino-4-chloro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569761
5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64601073
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
4-(2-chloroethyl)-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43662620
3-chloro-4-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 115588788
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102631872
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
6-chloro-N-(2-deuteriopropan-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 87129670

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide (CID 43429215) is 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide is CC(C)C(C)N(C)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is SCFBEEHLEFIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8(2)9(3)14(4)17(15,16)10-5-6-11(12)13-7-10/h5-9H,1-4H3.
What are the key properties of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 43429215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).