3-chloro-N-hydroxy-4-nitrobenzenesulfonamide

C6H5ClN2O5S — CID 23645545

IUPAC3-chloro-N-hydroxy-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl
InChIInChI=1S/C6H5ClN2O5S/c7-5-3-4(15(13,14)8-10)1-2-6(5)9(11)12/h1-3,8,10H
InChIKeyUTOKQYCFEAMQLH-UHFFFAOYSA-N
MW252.64 g/mol
LogP0.92
Rot. Bonds3

About 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide

3-chloro-N-hydroxy-4-nitrobenzenesulfonamide (PubChem CID 23645545) has the molecular formula C6H5ClN2O5S and a molecular weight of 252.64 g/mol. Its IUPAC name is 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-hydroxy-4-nitrobenzenesulfonamide
PubChem CID23645545
Molecular FormulaC6H5ClN2O5S
Molecular Weight252.64 g/mol
Exact Mass251.96
IUPAC Name3-chloro-N-hydroxy-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl
InChIInChI=1S/C6H5ClN2O5S/c7-5-3-4(15(13,14)8-10)1-2-6(5)9(11)12/h1-3,8,10H
InChIKeyUTOKQYCFEAMQLH-UHFFFAOYSA-N
XLogP0.92
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-Nitrobenzenesulfonamide
CID 22784
4-Chloro-3-nitrobenzenesulfonamide
CID 7324
4-Amino-3-chlorobenzenesulfonamide
CID 1502014
2-Chloro-5-nitrobenzenesulfonamide
CID 66784
Benzenesulfonyl chloride, 4-chloro-3-nitro-
CID 7323
2'-Chloro-4'-nitrobenzenesulfonanilide
CID 231836
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
CID 67301
Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
CID 67302
Hydroxysulfonamide 59
CID 23645542
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
CID 67300
2'-Chloro-3-nitrobenzenesulfonanilide
CID 232034
Benzenesulfonic acid, 4-amino-3-chloro-
CID 66816

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide?
The IUPAC name of 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide (CID 23645545) is 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NO)cc1Cl.
What is the InChIKey of 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide?
The InChIKey is UTOKQYCFEAMQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O5S/c7-5-3-4(15(13,14)8-10)1-2-6(5)9(11)12/h1-3,8,10H.
What are the key properties of 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide?
3-chloro-N-hydroxy-4-nitrobenzenesulfonamide has a molecular weight of 252.64 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hydroxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 23645545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).