N-(2-bromo-5-propanoylphenyl)methanesulfonamide

C10H12BrNO3S — CID 174428060

IUPACN-(2-bromo-5-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1ccc(Br)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H12BrNO3S/c1-3-10(13)7-4-5-8(11)9(6-7)12-16(2,14)15/h4-6,12H,3H2,1-2H3
InChIKeyMDUCQVCSVBMJKG-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.41
Rot. Bonds4

About N-(2-bromo-5-propanoylphenyl)methanesulfonamide

N-(2-bromo-5-propanoylphenyl)methanesulfonamide (PubChem CID 174428060) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is N-(2-bromo-5-propanoylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-propanoylphenyl)methanesulfonamide
PubChem CID174428060
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC NameN-(2-bromo-5-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1ccc(Br)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H12BrNO3S/c1-3-10(13)7-4-5-8(11)9(6-7)12-16(2,14)15/h4-6,12H,3H2,1-2H3
InChIKeyMDUCQVCSVBMJKG-UHFFFAOYSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(ethylsulfonylamino)benzoic acid
CID 104935785
N-(2-bromo-3-propanoylphenyl)methanesulfonamide
CID 174353531
1-[4-bromo-3-(hydroxymethyl)phenyl]propan-1-one
CID 118819058
N-[5-(2-aminoacetyl)-2-hydroxyphenyl]methanesulfonamide;hydrochloride
CID 159632042
N-(2-bromo-5-cyanophenyl)methanesulfonamide
CID 66834104
N-[2-chloro-5-(2-cyanoacetyl)phenyl]methanesulfonamide
CID 23592519
1-(4-bromo-3-nitrophenyl)propan-1-one
CID 3362692
ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
N,2-dimethyl-5-propanoylbenzenesulfonamide
CID 82044488
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
4-bromo-3-(prop-2-enylsulfonylamino)benzoic acid
CID 107812686

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-propanoylphenyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-5-propanoylphenyl)methanesulfonamide (CID 174428060) is N-(2-bromo-5-propanoylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-5-propanoylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-5-propanoylphenyl)methanesulfonamide is CCC(=O)c1ccc(Br)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(2-bromo-5-propanoylphenyl)methanesulfonamide?
The InChIKey is MDUCQVCSVBMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-3-10(13)7-4-5-8(11)9(6-7)12-16(2,14)15/h4-6,12H,3H2,1-2H3.
What are the key properties of N-(2-bromo-5-propanoylphenyl)methanesulfonamide?
N-(2-bromo-5-propanoylphenyl)methanesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-propanoylphenyl)methanesulfonamide is sourced from PubChem (CID 174428060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).