N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide

C11H13BrN2O3S — CID 47441864

IUPACN-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
SMILESC=C(Br)CNC(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C11H13BrN2O3S/c1-7-3-4-9(18(13,16)17)5-10(7)11(15)14-6-8(2)12/h3-5H,2,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyIXZNFZFVAXQQRX-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.28
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide

N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide (PubChem CID 47441864) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
PubChem CID47441864
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC NameN-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
SMILESC=C(Br)CNC(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C11H13BrN2O3S/c1-7-3-4-9(18(13,16)17)5-10(7)11(15)14-6-8(2)12/h3-5H,2,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyIXZNFZFVAXQQRX-UHFFFAOYSA-N
XLogP1.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
N-[2-[(2-methyl-5-sulfamoylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797230
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 47438537
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
N-[(2R)-2-methoxy-2-phenylethyl]-2-methyl-5-sulfamoylbenzamide
CID 94815936

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide (CID 47441864) is N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide is C=C(Br)CNC(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide?
The InChIKey is IXZNFZFVAXQQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-7-3-4-9(18(13,16)17)5-10(7)11(15)14-6-8(2)12/h3-5H,2,6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide?
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide has a molecular weight of 333.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 47441864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).