N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide

C12H8BrClINO2S — CID 114259576

IUPACN-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)ccc1I)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClINO2S/c13-8-4-5-11(15)12(6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7,16H
InChIKeyLLEQLLQNHRHMMH-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.51
Rot. Bonds3

About N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide

N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide (PubChem CID 114259576) has the molecular formula C12H8BrClINO2S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide
PubChem CID114259576
Molecular FormulaC12H8BrClINO2S
Molecular Weight472.53 g/mol
Exact Mass470.82
IUPAC NameN-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)ccc1I)c1cccc(Cl)c1
InChIInChI=1S/C12H8BrClINO2S/c13-8-4-5-11(15)12(6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7,16H
InChIKeyLLEQLLQNHRHMMH-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
CID 79822200
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330272
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide (CID 114259576) is N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide is O=S(=O)(Nc1cc(Br)ccc1I)c1cccc(Cl)c1.
What is the InChIKey of N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide?
The InChIKey is LLEQLLQNHRHMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClINO2S/c13-8-4-5-11(15)12(6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7,16H.
What are the key properties of N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide?
N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide has a molecular weight of 472.53 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 114259576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).