N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide

C15H15BrClN3O3S — CID 75454717

IUPACN-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ncccc1Br
InChIInChI=1S/C15H15BrClN3O3S/c1-19(24(22,23)12-7-5-11(17)6-8-12)10-14(21)20(2)15-13(16)4-3-9-18-15/h3-9H,10H2,1-2H3
InChIKeyGROFGBYVFLRRMO-UHFFFAOYSA-N
MW432.73 g/mol
LogP2.78
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide

N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 75454717) has the molecular formula C15H15BrClN3O3S and a molecular weight of 432.73 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID75454717
Molecular FormulaC15H15BrClN3O3S
Molecular Weight432.73 g/mol
Exact Mass430.97
IUPAC NameN-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ncccc1Br
InChIInChI=1S/C15H15BrClN3O3S/c1-19(24(22,23)12-7-5-11(17)6-8-12)10-14(21)20(2)15-13(16)4-3-9-18-15/h3-9H,10H2,1-2H3
InChIKeyGROFGBYVFLRRMO-UHFFFAOYSA-N
XLogP2.78
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.73
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-3-pyridinyl) 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 60581225
N-[(4-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26048426
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 1329406
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55675546
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
4-chloro-N-(3,3-dimethyl-2-oxobutyl)-N-methylbenzenesulfonamide
CID 171725644
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 52725239
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
N-[(2-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 34866736
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 75454717) is N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide is CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is GROFGBYVFLRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O3S/c1-19(24(22,23)12-7-5-11(17)6-8-12)10-14(21)20(2)15-13(16)4-3-9-18-15/h3-9H,10H2,1-2H3.
What are the key properties of N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide?
N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 432.73 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 75454717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).