N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide

C14H11BrClNO3S — CID 7510419

IUPACN-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c1-9(18)10-2-5-12(6-3-10)17-21(19,20)14-7-4-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeyLHBUNVBXCMDDDA-UHFFFAOYSA-N
MW388.67 g/mol
LogP4.11
Rot. Bonds4

About N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide

N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 7510419) has the molecular formula C14H11BrClNO3S and a molecular weight of 388.67 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID7510419
Molecular FormulaC14H11BrClNO3S
Molecular Weight388.67 g/mol
Exact Mass386.93
IUPAC NameN-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H11BrClNO3S/c1-9(18)10-2-5-12(6-3-10)17-21(19,20)14-7-4-11(15)8-13(14)16/h2-8,17H,1H3
InChIKeyLHBUNVBXCMDDDA-UHFFFAOYSA-N
XLogP4.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
N-(4-acetylphenyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 20815752
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 35506281
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155
4-bromo-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7510434
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide (CID 7510419) is N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is LHBUNVBXCMDDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3S/c1-9(18)10-2-5-12(6-3-10)17-21(19,20)14-7-4-11(15)8-13(14)16/h2-8,17H,1H3.
What are the key properties of N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 388.67 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 7510419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).