N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide

C16H13BrN4O3S — CID 18704801

IUPACN-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12
InChIInChI=1S/C16H13BrN4O3S/c1-10(22)20-13-6-2-5-12-11(13)4-3-7-14(12)25(23,24)21-16-9-18-15(17)8-19-16/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyCINRVQMBZSXGLV-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.15
Rot. Bonds4

About N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide

N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide (PubChem CID 18704801) has the molecular formula C16H13BrN4O3S and a molecular weight of 421.28 g/mol. Its IUPAC name is N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide
PubChem CID18704801
Molecular FormulaC16H13BrN4O3S
Molecular Weight421.28 g/mol
Exact Mass419.99
IUPAC NameN-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12
InChIInChI=1S/C16H13BrN4O3S/c1-10(22)20-13-6-2-5-12-11(13)4-3-7-14(12)25(23,24)21-16-9-18-15(17)8-19-16/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyCINRVQMBZSXGLV-UHFFFAOYSA-N
XLogP3.15
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromopyrazin-2-yl)-2-hydroxybenzenesulfonamide
CID 81245361
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
N-(5-methylpyrazin-2-yl)naphthalene-1-sulfonamide
CID 67573141
N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69118403
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
4-amino-2-[(5-bromopyrazin-2-yl)sulfamoyl]benzoic acid
CID 102931334
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 115733519
3-amino-N-(5-bromopyrazin-2-yl)-2,5-dimethylbenzenesulfonamide
CID 79889587

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide (CID 18704801) is N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12.
What is the InChIKey of N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide?
The InChIKey is CINRVQMBZSXGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O3S/c1-10(22)20-13-6-2-5-12-11(13)4-3-7-14(12)25(23,24)21-16-9-18-15(17)8-19-16/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide?
N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide has a molecular weight of 421.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-bromopyrazin-2-yl)sulfamoyl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 18704801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).