anilinosulfamic acid;4-methylbenzaldehyde

C14H16N2O4S — CID 88688555

IUPACanilinosulfamic acid;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.O=S(=O)(O)NNc1ccccc1
InChIInChI=1S/C8H8O.C6H8N2O3S/c1-7-2-4-8(6-9)5-3-7;9-12(10,11)8-7-6-4-2-1-3-5-6/h2-6H,1H3;1-5,7-8H,(H,9,10,11)
InChIKeyRPBUXVNQECCVSI-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.21
Rot. Bonds4

About anilinosulfamic acid;4-methylbenzaldehyde

anilinosulfamic acid;4-methylbenzaldehyde (PubChem CID 88688555) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is anilinosulfamic acid;4-methylbenzaldehyde.

Molecular Properties

Compound Nameanilinosulfamic acid;4-methylbenzaldehyde
PubChem CID88688555
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameanilinosulfamic acid;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.O=S(=O)(O)NNc1ccccc1
InChIInChI=1S/C8H8O.C6H8N2O3S/c1-7-2-4-8(6-9)5-3-7;9-12(10,11)8-7-6-4-2-1-3-5-6/h2-6H,1H3;1-5,7-8H,(H,9,10,11)
InChIKeyRPBUXVNQECCVSI-UHFFFAOYSA-N
XLogP2.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

benzaldehyde;1,2-diphenylhydrazine
CID 159261806
4-chlorobenzaldehyde;3-(2-sulfohydrazinyl)benzenesulfonic acid
CID 88688979
N-anilinohydroxylamine;4-methylbenzenesulfonic acid
CID 174689874
benzaldehyde;4-chlorobenzaldehyde;4-methylbenzaldehyde
CID 158703985
fluoren-9-one;4-methylbenzaldehyde
CID 19356892
sodium;hydride;4-methylbenzaldehyde
CID 173013137
3-methoxybenzaldehyde;4-(2-sulfohydrazinyl)benzenesulfonic acid
CID 88689314
4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533
benzene;terephthalaldehyde
CID 163498156
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
benzaldehyde;ethane;methanol
CID 143448374
2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894

Frequently Asked Questions

What is the IUPAC name of anilinosulfamic acid;4-methylbenzaldehyde?
The IUPAC name of anilinosulfamic acid;4-methylbenzaldehyde (CID 88688555) is anilinosulfamic acid;4-methylbenzaldehyde.
What is the SMILES notation for anilinosulfamic acid;4-methylbenzaldehyde?
The canonical SMILES for anilinosulfamic acid;4-methylbenzaldehyde is Cc1ccc(C=O)cc1.O=S(=O)(O)NNc1ccccc1.
What is the InChIKey of anilinosulfamic acid;4-methylbenzaldehyde?
The InChIKey is RPBUXVNQECCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H8N2O3S/c1-7-2-4-8(6-9)5-3-7;9-12(10,11)8-7-6-4-2-1-3-5-6/h2-6H,1H3;1-5,7-8H,(H,9,10,11).
What are the key properties of anilinosulfamic acid;4-methylbenzaldehyde?
anilinosulfamic acid;4-methylbenzaldehyde has a molecular weight of 308.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anilinosulfamic acid;4-methylbenzaldehyde is sourced from PubChem (CID 88688555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).