N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide

C12H13BrN2O3S — CID 99837738

IUPACN-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide
SMILESC#CCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C12H13BrN2O3S/c1-4-7-15(3)19(17,18)10-5-6-12(11(13)8-10)14-9(2)16/h1,5-6,8H,7H2,2-3H3,(H,14,16)
InChIKeyLNIWDPHRCWXOPX-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.66
Rot. Bonds4

About N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide

N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide (PubChem CID 99837738) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide
PubChem CID99837738
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC NameN-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide
SMILESC#CCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C12H13BrN2O3S/c1-4-7-15(3)19(17,18)10-5-6-12(11(13)8-10)14-9(2)16/h1,5-6,8H,7H2,2-3H3,(H,14,16)
InChIKeyLNIWDPHRCWXOPX-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620
3-bromo-2-chloro-5-[methyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 113402838
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
N-[2-bromo-4-[methoxymethyl(pyridin-2-yl)sulfamoyl]phenyl]acetamide
CID 125328013
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
3-[(3-bromo-4-cyanophenyl)sulfonyl-methylamino]propanoic acid
CID 120606495
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide
CID 71980428

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide (CID 99837738) is N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide is C#CCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide?
The InChIKey is LNIWDPHRCWXOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-4-7-15(3)19(17,18)10-5-6-12(11(13)8-10)14-9(2)16/h1,5-6,8H,7H2,2-3H3,(H,14,16).
What are the key properties of N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide?
N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide has a molecular weight of 345.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 99837738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).