(5-chloro-2-nitrophenyl)sulfamic acid

C6H5ClN2O5S — CID 11842973

IUPAC(5-chloro-2-nitrophenyl)sulfamic acid
SMILESO=[N+]([O-])c1ccc(Cl)cc1NS(=O)(=O)O
InChIInChI=1S/C6H5ClN2O5S/c7-4-1-2-6(9(10)11)5(3-4)8-15(12,13)14/h1-3,8H,(H,12,13,14)
InChIKeyPWYBCYOMWHGMDO-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.46
Rot. Bonds3

About (5-chloro-2-nitrophenyl)sulfamic acid

(5-chloro-2-nitrophenyl)sulfamic acid (PubChem CID 11842973) has the molecular formula C6H5ClN2O5S and a molecular weight of 252.64 g/mol. Its IUPAC name is (5-chloro-2-nitrophenyl)sulfamic acid.

Molecular Properties

Compound Name(5-chloro-2-nitrophenyl)sulfamic acid
PubChem CID11842973
Molecular FormulaC6H5ClN2O5S
Molecular Weight252.64 g/mol
Exact Mass251.96
IUPAC Name(5-chloro-2-nitrophenyl)sulfamic acid
SMILESO=[N+]([O-])c1ccc(Cl)cc1NS(=O)(=O)O
InChIInChI=1S/C6H5ClN2O5S/c7-4-1-2-6(9(10)11)5(3-4)8-15(12,13)14/h1-3,8H,(H,12,13,14)
InChIKeyPWYBCYOMWHGMDO-UHFFFAOYSA-N
XLogP1.46
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 51.46
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-bromo-5-chloro-2-nitroaniline
CID 150892624
2-bromo-N-(5-chloro-2-nitrophenyl)benzenesulfonamide
CID 60640749
3-(5-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 106185345
5-chloro-N-ethenyl-2-nitroaniline
CID 174515367
N-(5-chloro-2-nitrophenyl)-1-cyanopropane-1-sulfonamide
CID 107857531
5-chloro-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 113315986
CID 58762875
CID 58762875
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
3-(5-chloro-2-nitroanilino)-3-methylbutanoic acid
CID 115469389
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
5-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-2-nitroaniline
CID 114841688
4-(5-chloro-2-nitroanilino)-3-fluorobenzoic acid
CID 115469376

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-nitrophenyl)sulfamic acid?
The IUPAC name of (5-chloro-2-nitrophenyl)sulfamic acid (CID 11842973) is (5-chloro-2-nitrophenyl)sulfamic acid.
What is the SMILES notation for (5-chloro-2-nitrophenyl)sulfamic acid?
The canonical SMILES for (5-chloro-2-nitrophenyl)sulfamic acid is O=[N+]([O-])c1ccc(Cl)cc1NS(=O)(=O)O.
What is the InChIKey of (5-chloro-2-nitrophenyl)sulfamic acid?
The InChIKey is PWYBCYOMWHGMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O5S/c7-4-1-2-6(9(10)11)5(3-4)8-15(12,13)14/h1-3,8H,(H,12,13,14).
What are the key properties of (5-chloro-2-nitrophenyl)sulfamic acid?
(5-chloro-2-nitrophenyl)sulfamic acid has a molecular weight of 252.64 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-nitrophenyl)sulfamic acid is sourced from PubChem (CID 11842973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).