N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide

C10H11BrN2O3S — CID 47441752

IUPACN-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
SMILESC=C(Br)CNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11BrN2O3S/c1-7(11)6-13-10(14)8-2-4-9(5-3-8)17(12,15)16/h2-5H,1,6H2,(H,13,14)(H2,12,15,16)
InChIKeyAKJBTMJLEDPIDU-UHFFFAOYSA-N
MW319.18 g/mol
LogP0.97
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide

N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide (PubChem CID 47441752) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
PubChem CID47441752
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC NameN-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
SMILESC=C(Br)CNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H11BrN2O3S/c1-7(11)6-13-10(14)8-2-4-9(5-3-8)17(12,15)16/h2-5H,1,6H2,(H,13,14)(H2,12,15,16)
InChIKeyAKJBTMJLEDPIDU-UHFFFAOYSA-N
XLogP0.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
N-[2-oxo-2-(phosphanylmethylamino)ethyl]-4-sulfamoylbenzamide
CID 59991350
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
N-ethyl-4-sulfamoylbenzamide
CID 10242881
N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
CID 47438805
4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
CID 102852072
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-(2-methyl-2-methylsulfonylpropyl)-4-sulfamoylbenzamide
CID 79559148
N-(3-oxobutyl)-4-sulfamoylbenzamide
CID 23579196
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
N-(hydrazinecarbonyl)-4-sulfamoylbenzamide
CID 91621577
(2S)-3-methyl-2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 73353110

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide (CID 47441752) is N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide is C=C(Br)CNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide?
The InChIKey is AKJBTMJLEDPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-7(11)6-13-10(14)8-2-4-9(5-3-8)17(12,15)16/h2-5H,1,6H2,(H,13,14)(H2,12,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide?
N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide has a molecular weight of 319.18 g/mol, XLogP of 0.97, 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)-4-sulfamoylbenzamide is sourced from PubChem (CID 47441752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).