N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide

C11H13BrN2O3S — CID 47438805

IUPACN-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
SMILESC=C(Br)CNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H13BrN2O3S/c1-8(12)7-13-11(15)9-3-5-10(6-4-9)14-18(2,16)17/h3-6,14H,1,7H2,2H3,(H,13,15)
InChIKeyWZULYMNEUYEUCC-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.70
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide

N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide (PubChem CID 47438805) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
PubChem CID47438805
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC NameN-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
SMILESC=C(Br)CNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C11H13BrN2O3S/c1-8(12)7-13-11(15)9-3-5-10(6-4-9)14-18(2,16)17/h3-6,14H,1,7H2,2H3,(H,13,15)
InChIKeyWZULYMNEUYEUCC-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-4-sulfamoylbenzamide
CID 47441752
4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
CID 102852072
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(methanesulfonamido)benzamide
CID 108924285
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
CID 67936136
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
CID 108540814
4-(methanesulfonamido)-N-[3-(2-methylpropoxy)propyl]benzamide
CID 32647614

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide (CID 47438805) is N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide is C=C(Br)CNC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide?
The InChIKey is WZULYMNEUYEUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-8(12)7-13-11(15)9-3-5-10(6-4-9)14-18(2,16)17/h3-6,14H,1,7H2,2H3,(H,13,15).
What are the key properties of N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide?
N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide has a molecular weight of 333.21 g/mol, XLogP of 1.70, 5 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-(methanesulfonamido)benzamide is sourced from PubChem (CID 47438805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).