3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride

C7H3ClN2O5S — CID 131319374

IUPAC3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride
SMILESN#Cc1cc(O)cc(S(=O)(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H3ClN2O5S/c8-16(14,15)6-2-5(11)1-4(3-9)7(6)10(12)13/h1-2,11H
InChIKeyGUNVWKVXDZGVGR-UHFFFAOYSA-N
MW262.63 g/mol
LogP1.10
Rot. Bonds2

About 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride

3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride (PubChem CID 131319374) has the molecular formula C7H3ClN2O5S and a molecular weight of 262.63 g/mol. Its IUPAC name is 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride
PubChem CID131319374
Molecular FormulaC7H3ClN2O5S
Molecular Weight262.63 g/mol
Exact Mass261.95
IUPAC Name3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride
SMILESN#Cc1cc(O)cc(S(=O)(=O)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H3ClN2O5S/c8-16(14,15)6-2-5(11)1-4(3-9)7(6)10(12)13/h1-2,11H
InChIKeyGUNVWKVXDZGVGR-UHFFFAOYSA-N
XLogP1.10
TPSA121.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.63
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-(aminomethyl)-3-cyano-2-nitrobenzenesulfonyl chloride
CID 131301318
3-cyano-5-hydroxy-2-methylbenzenesulfonyl chloride
CID 130779296
2-bromo-4-cyano-3-nitrobenzenesulfonyl chloride
CID 131623946
3-cyano-2-(hydroxymethyl)-5-nitrobenzenesulfonyl chloride
CID 131328876
2-chloro-5-cyano-4-nitrobenzenesulfonyl chloride
CID 131488602
4-bromo-5-cyano-2-nitrobenzenesulfonyl chloride
CID 118811260
3-cyano-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 131521565
4-cyano-5-methyl-2-nitrobenzenesulfonyl chloride
CID 118799381
4-(aminomethyl)-3-cyano-2-nitrobenzenesulfonyl chloride
CID 118828721
2-cyano-4-methyl-3-nitrobenzenesulfonyl chloride
CID 131531171
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118811093
4-cyano-2-ethyl-5-nitrobenzenesulfonyl chloride
CID 118822210

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride?
The IUPAC name of 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride (CID 131319374) is 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride?
The canonical SMILES for 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride is N#Cc1cc(O)cc(S(=O)(=O)Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride?
The InChIKey is GUNVWKVXDZGVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O5S/c8-16(14,15)6-2-5(11)1-4(3-9)7(6)10(12)13/h1-2,11H.
What are the key properties of 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride?
3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride has a molecular weight of 262.63 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-hydroxy-2-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 131319374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).