3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine

C11H18ClN3O2S — CID 107266804

IUPAC3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine
SMILESCCCCN(C)S(=O)(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C11H18ClN3O2S/c1-4-5-8-15(3)18(16,17)14-10-6-7-11(12)13-9(10)2/h6-7,14H,4-5,8H2,1-3H3
InChIKeyWWGOQLKRKGQUHZ-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.43
Rot. Bonds6

About 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine

3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine (PubChem CID 107266804) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine
PubChem CID107266804
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine
SMILESCCCCN(C)S(=O)(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C11H18ClN3O2S/c1-4-5-8-15(3)18(16,17)14-10-6-7-11(12)13-9(10)2/h6-7,14H,4-5,8H2,1-3H3
InChIKeyWWGOQLKRKGQUHZ-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
CID 43443054
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpyridine
CID 79042089
2-[2-[[butyl(methyl)sulfamoyl]amino]phenyl]acetic acid
CID 62535155
2-[[butyl(methyl)sulfamoyl]amino]-5-fluorobenzoic acid
CID 43351263
2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
CID 107266790
2-bromo-4-chloro-1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]benzene
CID 114135273
1-chloro-3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylbenzene
CID 106057400
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
N-(6-chloro-2-methyl-3-pyridinyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 107266701
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine (CID 107266804) is 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine is CCCCN(C)S(=O)(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine?
The InChIKey is WWGOQLKRKGQUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-4-5-8-15(3)18(16,17)14-10-6-7-11(12)13-9(10)2/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine?
3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine has a molecular weight of 291.80 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]-6-chloro-2-methylpyridine is sourced from PubChem (CID 107266804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).