N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide

C12H8BrClFNO2S — CID 1190447

IUPACN-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-12(15)11(14)7-10/h1-7,16H
InChIKeyBEWLXKGQLSTXIE-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.04
Rot. Bonds3

About N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide

N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 1190447) has the molecular formula C12H8BrClFNO2S and a molecular weight of 364.62 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID1190447
Molecular FormulaC12H8BrClFNO2S
Molecular Weight364.62 g/mol
Exact Mass362.91
IUPAC NameN-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-12(15)11(14)7-10/h1-7,16H
InChIKeyBEWLXKGQLSTXIE-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 293101
CID 293101
CID 341408
CID 341408
CID 598509
CID 598509
CID 4788452
CID 4788452
CID 3715706
CID 3715706
CID 3865807
CID 3865807
CID 4321654
CID 4321654
CID 341407
CID 341407
CID 871861
CID 871861
CID 57751043
CID 57751043
CID 8190105
CID 8190105
CID 341409
CID 341409

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide (CID 1190447) is N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is BEWLXKGQLSTXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO2S/c13-8-1-3-9(4-2-8)16-19(17,18)10-5-6-12(15)11(14)7-10/h1-7,16H.
What are the key properties of N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide?
N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide has a molecular weight of 364.62 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 1190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).