N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide

C12H8BrClN2O4S — CID 29054211

IUPACN-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-8-2-1-3-9(6-8)15-21(19,20)12-5-4-10(16(17)18)7-11(12)14/h1-7,15H
InChIKeyRNRASAJZYRVRCO-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.81
Rot. Bonds4

About N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide

N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide (PubChem CID 29054211) has the molecular formula C12H8BrClN2O4S and a molecular weight of 391.63 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
PubChem CID29054211
Molecular FormulaC12H8BrClN2O4S
Molecular Weight391.63 g/mol
Exact Mass389.91
IUPAC NameN-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H8BrClN2O4S/c13-8-2-1-3-9(6-8)15-21(19,20)12-5-4-10(16(17)18)7-11(12)14/h1-7,15H
InChIKeyRNRASAJZYRVRCO-UHFFFAOYSA-N
XLogP3.81
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.63
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
2-chloro-5-nitro-N-(4-nitrophenyl)benzenesulfonamide
CID 7559501
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 61016331
N-(3-bromophenyl)-3-chloro-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59982447
N-(3-bromophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147940
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide
CID 5089317
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
2-chloro-N-(4-methylphenyl)-5-nitrobenzenesulfonamide
CID 2844050

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide (CID 29054211) is N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide?
The InChIKey is RNRASAJZYRVRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4S/c13-8-2-1-3-9(6-8)15-21(19,20)12-5-4-10(16(17)18)7-11(12)14/h1-7,15H.
What are the key properties of N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide?
N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide has a molecular weight of 391.63 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 29054211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).