5-chloro-2-methyl-3-nitrobenzenesulfonamide

C7H7ClN2O4S — CID 63839847

IUPAC5-chloro-2-methyl-3-nitrobenzenesulfonamide
SMILESCc1c([N+](=O)[O-])cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C7H7ClN2O4S/c1-4-6(10(11)12)2-5(8)3-7(4)15(9,13)14/h2-3H,1H3,(H2,9,13,14)
InChIKeyVQNDFGUAPLCMOA-UHFFFAOYSA-N
MW250.66 g/mol
LogP1.20
Rot. Bonds2

About 5-chloro-2-methyl-3-nitrobenzenesulfonamide

5-chloro-2-methyl-3-nitrobenzenesulfonamide (PubChem CID 63839847) has the molecular formula C7H7ClN2O4S and a molecular weight of 250.66 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-nitrobenzenesulfonamide
PubChem CID63839847
Molecular FormulaC7H7ClN2O4S
Molecular Weight250.66 g/mol
Exact Mass249.98
IUPAC Name5-chloro-2-methyl-3-nitrobenzenesulfonamide
SMILESCc1c([N+](=O)[O-])cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C7H7ClN2O4S/c1-4-6(10(11)12)2-5(8)3-7(4)15(9,13)14/h2-3H,1H3,(H2,9,13,14)
InChIKeyVQNDFGUAPLCMOA-UHFFFAOYSA-N
XLogP1.20
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 51.20
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

2-methyl-3,5-dinitrobenzenesulfonamide
CID 4554776
5-acetyl-2-methyl-3-nitrobenzenesulfonamide
CID 63839838
2-chloro-5-methyl-3-nitrobenzenesulfonamide
CID 63839177
3-bromo-5-chloro-2-methylbenzenesulfonamide
CID 53443946
4-chloro-2,6-dinitrophenolate
CID 36690453
3-fluoro-2-methyl-4-nitrobenzenesulfonamide
CID 135743403
3-methyl-2,4-dinitrobenzenesulfonamide
CID 87787870
1-(bromomethyl)-5-chloro-2-methyl-3-nitrobenzene
CID 130779304
cyclopropylmethyl 4-methyl-3-nitro-5-sulfamoylbenzoate
CID 65381431
N-cyclobutyl-4-methyl-3-nitro-5-sulfamoylbenzamide
CID 65388451
4-chloro-5-fluoro-2-nitrobenzenesulfonamide
CID 66077255
4-chloro-2,6-dinitrobenzenesulfonic acid
CID 3510155

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-nitrobenzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-3-nitrobenzenesulfonamide (CID 63839847) is 5-chloro-2-methyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-3-nitrobenzenesulfonamide is Cc1c([N+](=O)[O-])cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-methyl-3-nitrobenzenesulfonamide?
The InChIKey is VQNDFGUAPLCMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O4S/c1-4-6(10(11)12)2-5(8)3-7(4)15(9,13)14/h2-3H,1H3,(H2,9,13,14).
What are the key properties of 5-chloro-2-methyl-3-nitrobenzenesulfonamide?
5-chloro-2-methyl-3-nitrobenzenesulfonamide has a molecular weight of 250.66 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 63839847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).