3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide

C15H14BrNO3S — CID 61410420

IUPAC3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrNO3S/c1-11(18)13-5-3-7-15(9-13)21(19,20)17-10-12-4-2-6-14(16)8-12/h2-9,17H,10H2,1H3
InChIKeyRURWKBBEDKOFIS-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.13
Rot. Bonds5

About 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide

3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide (PubChem CID 61410420) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
PubChem CID61410420
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrNO3S/c1-11(18)13-5-3-7-15(9-13)21(19,20)17-10-12-4-2-6-14(16)8-12/h2-9,17H,10H2,1H3
InChIKeyRURWKBBEDKOFIS-UHFFFAOYSA-N
XLogP3.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665559
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
3-acetyl-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103710722

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide (CID 61410420) is 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2cccc(Br)c2)c1.
What is the InChIKey of 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide?
The InChIKey is RURWKBBEDKOFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-11(18)13-5-3-7-15(9-13)21(19,20)17-10-12-4-2-6-14(16)8-12/h2-9,17H,10H2,1H3.
What are the key properties of 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide?
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61410420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).