2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol

C13H10BrClO3S — CID 167696013

IUPAC2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol
SMILESO=S(=O)(Cc1cc(Cl)ccc1O)c1cccc(Br)c1
InChIInChI=1S/C13H10BrClO3S/c14-10-2-1-3-12(7-10)19(17,18)8-9-6-11(15)4-5-13(9)16/h1-7,16H,8H2
InChIKeyXRABPTAZUWPGJM-UHFFFAOYSA-N
MW361.64 g/mol
LogP3.78
Rot. Bonds3

About 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol

2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol (PubChem CID 167696013) has the molecular formula C13H10BrClO3S and a molecular weight of 361.64 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol
PubChem CID167696013
Molecular FormulaC13H10BrClO3S
Molecular Weight361.64 g/mol
Exact Mass359.92
IUPAC Name2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol
SMILESO=S(=O)(Cc1cc(Cl)ccc1O)c1cccc(Br)c1
InChIInChI=1S/C13H10BrClO3S/c14-10-2-1-3-12(7-10)19(17,18)8-9-6-11(15)4-5-13(9)16/h1-7,16H,8H2
InChIKeyXRABPTAZUWPGJM-UHFFFAOYSA-N
XLogP3.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-chlorophenyl)sulfonylmethyl]aniline
CID 114382135
3-[(3-bromophenyl)sulfonylmethyl]-4-fluorobenzonitrile
CID 64692867
2-[4-[(3-bromophenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345580
3-bromo-4-[(3-bromophenyl)sulfonylmethyl]benzoic acid
CID 102766373
5-[(3-bromophenyl)sulfonylmethyl]-2-chloroaniline
CID 62805338
2-[(3-bromophenyl)sulfonylmethyl]-4-fluoroaniline
CID 55119579
N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 54532776
4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
CID 115684180
1-[2-[(4-bromophenyl)sulfonylmethyl]phenyl]-3-(2,4-dichlorophenyl)propan-2-one
CID 158315475
3-[(5-bromo-2-hydroxyphenyl)sulfonylmethyl]-5-chloro-2-hydroxybenzenesulfonamide
CID 167553401
[4-[(3-bromophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486162
4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol?
The IUPAC name of 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol (CID 167696013) is 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol?
The canonical SMILES for 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol is O=S(=O)(Cc1cc(Cl)ccc1O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol?
The InChIKey is XRABPTAZUWPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO3S/c14-10-2-1-3-12(7-10)19(17,18)8-9-6-11(15)4-5-13(9)16/h1-7,16H,8H2.
What are the key properties of 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol?
2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol has a molecular weight of 361.64 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol is sourced from PubChem (CID 167696013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).