2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide

C11H15ClN4O3S — CID 64601658

IUPAC2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
SMILESCNc1ncc(S(=O)(=O)NCC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C11H15ClN4O3S/c1-13-11-9(12)4-8(5-14-11)20(18,19)15-6-10(17)16-7-2-3-7/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)(H,16,17)
InChIKeyFRBGUGGSGGNHSX-UHFFFAOYSA-N
MW318.79 g/mol
LogP0.33
Rot. Bonds6

About 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide

2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide (PubChem CID 64601658) has the molecular formula C11H15ClN4O3S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
PubChem CID64601658
Molecular FormulaC11H15ClN4O3S
Molecular Weight318.79 g/mol
Exact Mass318.06
IUPAC Name2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
SMILESCNc1ncc(S(=O)(=O)NCC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C11H15ClN4O3S/c1-13-11-9(12)4-8(5-14-11)20(18,19)15-6-10(17)16-7-2-3-7/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)(H,16,17)
InChIKeyFRBGUGGSGGNHSX-UHFFFAOYSA-N
XLogP0.33
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
2-[(2-aminopyrimidin-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 62147002
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
N-cyclopropyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62146294
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
CID 112990970
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
CID 64602106
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide (CID 64601658) is 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide is CNc1ncc(S(=O)(=O)NCC(=O)NC2CC2)cc1Cl.
What is the InChIKey of 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is FRBGUGGSGGNHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3S/c1-13-11-9(12)4-8(5-14-11)20(18,19)15-6-10(17)16-7-2-3-7/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide?
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 318.79 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 64601658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).