N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide

C14H10BrCl2NO3S — CID 26239627

IUPACN-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2NO3S/c1-22(20,21)13-6-8(2-4-10(13)16)14(19)18-12-5-3-9(15)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyZGFABSFGAUWUDE-UHFFFAOYSA-N
MW423.12 g/mol
LogP4.41
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide

N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide (PubChem CID 26239627) has the molecular formula C14H10BrCl2NO3S and a molecular weight of 423.12 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
PubChem CID26239627
Molecular FormulaC14H10BrCl2NO3S
Molecular Weight423.12 g/mol
Exact Mass420.89
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2NO3S/c1-22(20,21)13-6-8(2-4-10(13)16)14(19)18-12-5-3-9(15)7-11(12)17/h2-7H,1H3,(H,18,19)
InChIKeyZGFABSFGAUWUDE-UHFFFAOYSA-N
XLogP4.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.12
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
N-(4-bromo-2-chlorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313577
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide (CID 26239627) is N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide?
The InChIKey is ZGFABSFGAUWUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO3S/c1-22(20,21)13-6-8(2-4-10(13)16)14(19)18-12-5-3-9(15)7-11(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide?
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide has a molecular weight of 423.12 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide is sourced from PubChem (CID 26239627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).