5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide

C11H18ClN3O4S — CID 106149451

IUPAC5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H18ClN3O4S/c1-11(17,7-15(2)3)6-14-20(18,19)8-4-9(12)10(16)13-5-8/h4-5,14,17H,6-7H2,1-3H3,(H,13,16)
InChIKeyFYEPMBKTXXDZCD-UHFFFAOYSA-N
MW323.80 g/mol
LogP-0.38
Rot. Bonds6

About 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 106149451) has the molecular formula C11H18ClN3O4S and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID106149451
Molecular FormulaC11H18ClN3O4S
Molecular Weight323.80 g/mol
Exact Mass323.07
IUPAC Name5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H18ClN3O4S/c1-11(17,7-15(2)3)6-14-20(18,19)8-4-9(12)10(16)13-5-8/h4-5,14,17H,6-7H2,1-3H3,(H,13,16)
InChIKeyFYEPMBKTXXDZCD-UHFFFAOYSA-N
XLogP-0.38
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293639
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114327
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140330
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 106149451) is 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FYEPMBKTXXDZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4S/c1-11(17,7-15(2)3)6-14-20(18,19)8-4-9(12)10(16)13-5-8/h4-5,14,17H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 323.80 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106149451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).