N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide

C15H16BrN3O4S — CID 125328013

IUPACN-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOCN(c1ccccn1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C15H16BrN3O4S/c1-11(20)18-14-7-6-12(9-13(14)16)24(21,22)19(10-23-2)15-5-3-4-8-17-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyFZCNBURIFAGSIP-UHFFFAOYSA-N
MW414.28 g/mol
LogP2.60
Rot. Bonds6

About N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide

N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 125328013) has the molecular formula C15H16BrN3O4S and a molecular weight of 414.28 g/mol. Its IUPAC name is N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID125328013
Molecular FormulaC15H16BrN3O4S
Molecular Weight414.28 g/mol
Exact Mass413.00
IUPAC NameN-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOCN(c1ccccn1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C15H16BrN3O4S/c1-11(20)18-14-7-6-12(9-13(14)16)24(21,22)19(10-23-2)15-5-3-4-8-17-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyFZCNBURIFAGSIP-UHFFFAOYSA-N
XLogP2.60
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide
CID 99837738
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-phenylacetamide
CID 1475365
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
3-amino-4-bromo-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 115328693
7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
CID 141300682
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide
CID 141300681
N-(2-bromophenyl)-2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1241981
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide (CID 125328013) is N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide is COCN(c1ccccn1)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is FZCNBURIFAGSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4S/c1-11(20)18-14-7-6-12(9-13(14)16)24(21,22)19(10-23-2)15-5-3-4-8-17-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide?
N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 414.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 125328013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).