N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide

C15H13BrClNO3S — CID 17225191

IUPACN-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNO3S/c16-13-3-1-2-4-14(13)18-15(19)10-22(20,21)9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyIANKMHJMZFSTMQ-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.66
Rot. Bonds5

About N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide

N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide (PubChem CID 17225191) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
PubChem CID17225191
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC NameN-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H13BrClNO3S/c16-13-3-1-2-4-14(13)18-15(19)10-22(20,21)9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyIANKMHJMZFSTMQ-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
CID 17225150
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
ethyl 4-[2-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoyl]piperazine-1-carboxylate
CID 17225282
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926204
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225028
2-(2-aminobutylsulfonyl)-N-(2-bromophenyl)acetamide
CID 81194602
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide (CID 17225191) is N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide is O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The InChIKey is IANKMHJMZFSTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c16-13-3-1-2-4-14(13)18-15(19)10-22(20,21)9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide has a molecular weight of 402.70 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 17225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).