N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide

C11H18FN3O2S — CID 103299907

IUPACN-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H18FN3O2S/c1-9(6-8-15(2)3)14-18(16,17)11-10(12)5-4-7-13-11/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyIOUVMCQMUCZZMP-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.84
Rot. Bonds6

About N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide

N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103299907) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
PubChem CID103299907
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
SMILESCC(CCN(C)C)NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H18FN3O2S/c1-9(6-8-15(2)3)14-18(16,17)11-10(12)5-4-7-13-11/h4-5,7,9,14H,6,8H2,1-3H3
InChIKeyIOUVMCQMUCZZMP-UHFFFAOYSA-N
XLogP0.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
3-fluoro-N-octan-2-ylpyridine-2-sulfonamide
CID 103299597
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
N-(1-cyclopropylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300114
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
CID 114127258
3-[4-(dimethylamino)butan-2-ylsulfamoyl]pyridine-2-carbothioamide
CID 106596928
N-but-3-en-2-yl-3-fluoropyridine-2-sulfonamide
CID 103300448
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide (CID 103299907) is N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide is CC(CCN(C)C)NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is IOUVMCQMUCZZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-9(6-8-15(2)3)14-18(16,17)11-10(12)5-4-7-13-11/h4-5,7,9,14H,6,8H2,1-3H3.
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide?
N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 275.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).