2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide

C11H18ClN3O3S — CID 106146436

IUPAC2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-11(16,8-15(2)3)7-14-19(17,18)9-4-5-13-10(12)6-9/h4-6,14,16H,7-8H2,1-3H3
InChIKeyDQRXUPRABLBNQV-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.33
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide (PubChem CID 106146436) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
PubChem CID106146436
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-11(16,8-15(2)3)7-14-19(17,18)9-4-5-13-10(12)6-9/h4-6,14,16H,7-8H2,1-3H3
InChIKeyDQRXUPRABLBNQV-UHFFFAOYSA-N
XLogP0.33
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106149451
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylimidazole-4-sulfonamide
CID 103838093
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 103838219
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
CID 106145672
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
2-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-4-sulfonamide
CID 62152452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide (CID 106146436) is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide?
The InChIKey is DQRXUPRABLBNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-11(16,8-15(2)3)7-14-19(17,18)9-4-5-13-10(12)6-9/h4-6,14,16H,7-8H2,1-3H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide?
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide has a molecular weight of 307.80 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide is sourced from PubChem (CID 106146436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).