2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C11H13BrClN3O3S — CID 61061158

IUPAC2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H13BrClN3O3S/c1-16(6-10(17)15-8-2-3-8)20(18,19)9-4-7(12)5-14-11(9)13/h4-5,8H,2-3,6H2,1H3,(H,15,17)
InChIKeyLKJOEGLGGBSYMO-UHFFFAOYSA-N
MW382.67 g/mol
LogP1.40
Rot. Bonds5

About 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide

2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 61061158) has the molecular formula C11H13BrClN3O3S and a molecular weight of 382.67 g/mol. Its IUPAC name is 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID61061158
Molecular FormulaC11H13BrClN3O3S
Molecular Weight382.67 g/mol
Exact Mass380.95
IUPAC Name2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H13BrClN3O3S/c1-16(6-10(17)15-8-2-3-8)20(18,19)9-4-7(12)5-14-11(9)13/h4-5,8H,2-3,6H2,1H3,(H,15,17)
InChIKeyLKJOEGLGGBSYMO-UHFFFAOYSA-N
XLogP1.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 22516465
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 1315364
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
N-cyclopropyl-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 8816801
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 61061158) is 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is LKJOEGLGGBSYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O3S/c1-16(6-10(17)15-8-2-3-8)20(18,19)9-4-7(12)5-14-11(9)13/h4-5,8H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 382.67 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 61061158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).