1-(dimethylsulfamoylamino)-4-formylbenzene

C9H12N2O3S — CID 58614334

IUPAC1-(dimethylsulfamoylamino)-4-formylbenzene
SMILESCN(C)S(=O)(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-7,10H,1-2H3
InChIKeyJJAOCFJIGKAWPQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.72
Rot. Bonds4

About 1-(dimethylsulfamoylamino)-4-formylbenzene

1-(dimethylsulfamoylamino)-4-formylbenzene (PubChem CID 58614334) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-formylbenzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-formylbenzene
PubChem CID58614334
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name1-(dimethylsulfamoylamino)-4-formylbenzene
SMILESCN(C)S(=O)(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-7,10H,1-2H3
InChIKeyJJAOCFJIGKAWPQ-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
CID 112979882
1-(2-bromoethyl)-4-(dimethylsulfamoylamino)benzene
CID 114296418
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
methyl 4-(dimethylsulfamoylamino)benzoate
CID 884458
N-(4-formylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 106912861
1-(1-amino-2-methylpropan-2-yl)-4-(dimethylsulfamoylamino)benzene
CID 43624625
1-cyclohexyl-4-(dimethylsulfamoylamino)benzene
CID 110776745
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028
1-(dimethylsulfamoylamino)-3-iodobenzene
CID 60582672
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-formylbenzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-formylbenzene (CID 58614334) is 1-(dimethylsulfamoylamino)-4-formylbenzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-formylbenzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-formylbenzene is CN(C)S(=O)(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-formylbenzene?
The InChIKey is JJAOCFJIGKAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11(2)15(13,14)10-9-5-3-8(7-12)4-6-9/h3-7,10H,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-formylbenzene?
1-(dimethylsulfamoylamino)-4-formylbenzene has a molecular weight of 228.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-formylbenzene is sourced from PubChem (CID 58614334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).