4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide

C13H10BrClN2O4S — CID 7510436

IUPAC4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClN2O4S/c1-8-2-4-10(17(18)19)7-12(8)16-22(20,21)13-5-3-9(14)6-11(13)15/h2-7,16H,1H3
InChIKeyXEJUQXBVLWPNEV-UHFFFAOYSA-N
MW405.66 g/mol
LogP4.12
Rot. Bonds4

About 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide (PubChem CID 7510436) has the molecular formula C13H10BrClN2O4S and a molecular weight of 405.66 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
PubChem CID7510436
Molecular FormulaC13H10BrClN2O4S
Molecular Weight405.66 g/mol
Exact Mass403.92
IUPAC Name4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClN2O4S/c1-8-2-4-10(17(18)19)7-12(8)16-22(20,21)13-5-3-9(14)6-11(13)15/h2-7,16H,1H3
InChIKeyXEJUQXBVLWPNEV-UHFFFAOYSA-N
XLogP4.12
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.66
LogP ≤ 54.12
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-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 82774950
N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
CID 29054211
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
3-bromo-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 61062554
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide (CID 7510436) is 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide?
The InChIKey is XEJUQXBVLWPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O4S/c1-8-2-4-10(17(18)19)7-12(8)16-22(20,21)13-5-3-9(14)6-11(13)15/h2-7,16H,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide has a molecular weight of 405.66 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 7510436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).