(4-amino-2-chloro-5-methylphenyl) sulfite;azane

C7H10ClN2O3S- — CID 175289666

IUPAC(4-amino-2-chloro-5-methylphenyl) sulfite;azane
SMILESCc1cc(OS(=O)[O-])c(Cl)cc1N.N
InChIInChI=1S/C7H8ClNO3S.H3N/c1-4-2-7(12-13(10)11)5(8)3-6(4)9;/h2-3H,9H2,1H3,(H,10,11);1H3/p-1
InChIKeyLMBBFQZIXIMCPP-UHFFFAOYSA-M
MW237.69 g/mol
LogP1.57
Rot. Bonds2

About (4-amino-2-chloro-5-methylphenyl) sulfite;azane

(4-amino-2-chloro-5-methylphenyl) sulfite;azane (PubChem CID 175289666) has the molecular formula C7H10ClN2O3S- and a molecular weight of 237.69 g/mol. Its IUPAC name is (4-amino-2-chloro-5-methylphenyl) sulfite;azane.

Molecular Properties

Compound Name(4-amino-2-chloro-5-methylphenyl) sulfite;azane
PubChem CID175289666
Molecular FormulaC7H10ClN2O3S-
Molecular Weight237.69 g/mol
Exact Mass237.01
IUPAC Name(4-amino-2-chloro-5-methylphenyl) sulfite;azane
SMILESCc1cc(OS(=O)[O-])c(Cl)cc1N.N
InChIInChI=1S/C7H8ClNO3S.H3N/c1-4-2-7(12-13(10)11)5(8)3-6(4)9;/h2-3H,9H2,1H3,(H,10,11);1H3/p-1
InChIKeyLMBBFQZIXIMCPP-UHFFFAOYSA-M
XLogP1.57
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl) sulfite
CID 57141431
5-chloro-4-(2-chlorophenoxy)-2-methylaniline
CID 118588956
(2,4-dimethylphenyl) sulfite
CID 57159721
5-chloro-4-(2-fluorophenoxy)-2-methylaniline
CID 153180265
lithium (2,5-diaminophenyl) sulfite
CID 175298069
(5-amino-2,4-dimethylphenyl) hydrogen sulfite
CID 174701620
4-[tert-butyl(dimethyl)silyl]oxy-5-chloro-2-methylaniline
CID 167731029
sodium (2-aminophenyl) sulfite
CID 156780353
(3-aminonaphthalen-2-yl) sulfite
CID 174651663
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
5-chloro-4-(cyclopropylmethoxy)-2-methylaniline
CID 130549167
4-[(4-amino-2-chloro-5-methylphenyl)methyl]-5-chloro-2-methylaniline
CID 14178169

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chloro-5-methylphenyl) sulfite;azane?
The IUPAC name of (4-amino-2-chloro-5-methylphenyl) sulfite;azane (CID 175289666) is (4-amino-2-chloro-5-methylphenyl) sulfite;azane.
What is the SMILES notation for (4-amino-2-chloro-5-methylphenyl) sulfite;azane?
The canonical SMILES for (4-amino-2-chloro-5-methylphenyl) sulfite;azane is Cc1cc(OS(=O)[O-])c(Cl)cc1N.N.
What is the InChIKey of (4-amino-2-chloro-5-methylphenyl) sulfite;azane?
The InChIKey is LMBBFQZIXIMCPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8ClNO3S.H3N/c1-4-2-7(12-13(10)11)5(8)3-6(4)9;/h2-3H,9H2,1H3,(H,10,11);1H3/p-1.
What are the key properties of (4-amino-2-chloro-5-methylphenyl) sulfite;azane?
(4-amino-2-chloro-5-methylphenyl) sulfite;azane has a molecular weight of 237.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chloro-5-methylphenyl) sulfite;azane is sourced from PubChem (CID 175289666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).