(2-chloro-5-nitrophenyl)sulfamic acid

C6H5ClN2O5S — CID 14912232

IUPAC(2-chloro-5-nitrophenyl)sulfamic acid
SMILESO=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)O)c1
InChIInChI=1S/C6H5ClN2O5S/c7-5-2-1-4(9(10)11)3-6(5)8-15(12,13)14/h1-3,8H,(H,12,13,14)
InChIKeyPCANCAASIGSBQP-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.46
Rot. Bonds3

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

(2-chloro-5-nitrophenyl)sulfamic acid (PubChem CID 14912232) has the molecular formula C6H5ClN2O5S and a molecular weight of 252.64 g/mol. Its IUPAC name is (2-chloro-5-nitrophenyl)sulfamic acid.

Molecular Properties

Compound Name(2-chloro-5-nitrophenyl)sulfamic acid
PubChem CID14912232
Molecular FormulaC6H5ClN2O5S
Molecular Weight252.64 g/mol
Exact Mass251.96
IUPAC Name(2-chloro-5-nitrophenyl)sulfamic acid
SMILESO=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)O)c1
InChIInChI=1S/C6H5ClN2O5S/c7-5-2-1-4(9(10)11)3-6(5)8-15(12,13)14/h1-3,8H,(H,12,13,14)
InChIKeyPCANCAASIGSBQP-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-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide
CID 18891447
N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 61248781
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
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4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945
(5-chloro-2-nitrophenyl)sulfamic acid
CID 11842973
2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
CID 43718933
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
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CID 108508659

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-nitrophenyl)sulfamic acid?
The IUPAC name of (2-chloro-5-nitrophenyl)sulfamic acid (CID 14912232) is (2-chloro-5-nitrophenyl)sulfamic acid.
What is the SMILES notation for (2-chloro-5-nitrophenyl)sulfamic acid?
The canonical SMILES for (2-chloro-5-nitrophenyl)sulfamic acid is O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)O)c1.
What is the InChIKey of (2-chloro-5-nitrophenyl)sulfamic acid?
The InChIKey is PCANCAASIGSBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O5S/c7-5-2-1-4(9(10)11)3-6(5)8-15(12,13)14/h1-3,8H,(H,12,13,14).
What are the key properties of (2-chloro-5-nitrophenyl)sulfamic acid?
(2-chloro-5-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 (2-chloro-5-nitrophenyl)sulfamic acid is sourced from PubChem (CID 14912232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).