N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide

C12H8BrClN2O4S — CID 62907756

IUPACN-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C12H8BrClN2O4S/c13-8-1-6-11(14)12(7-8)15-21(19,20)10-4-2-9(3-5-10)16(17)18/h1-7,15H
InChIKeySKEIQBCJSUPYND-UHFFFAOYSA-N
MW391.63 g/mol
LogP3.81
Rot. Bonds4

About N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide

N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide (PubChem CID 62907756) has the molecular formula C12H8BrClN2O4S and a molecular weight of 391.63 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
PubChem CID62907756
Molecular FormulaC12H8BrClN2O4S
Molecular Weight391.63 g/mol
Exact Mass389.91
IUPAC NameN-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C12H8BrClN2O4S/c13-8-1-6-11(14)12(7-8)15-21(19,20)10-4-2-9(3-5-10)16(17)18/h1-7,15H
InChIKeySKEIQBCJSUPYND-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

N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 61248781
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N-(5-bromo-2-chlorophenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62908088
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 26969862

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide (CID 62907756) is N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide?
The InChIKey is SKEIQBCJSUPYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O4S/c13-8-1-6-11(14)12(7-8)15-21(19,20)10-4-2-9(3-5-10)16(17)18/h1-7,15H.
What are the key properties of N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide?
N-(5-bromo-2-chlorophenyl)-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-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62907756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).