N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide

C12H17N3O3S — CID 18771469

IUPACN-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)Nc2ccc(C=O)cc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)13-12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKeyKMNMSGBDDOJYCD-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.40
Rot. Bonds4

About N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide

N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide (PubChem CID 18771469) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide
PubChem CID18771469
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)Nc2ccc(C=O)cc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)13-12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKeyKMNMSGBDDOJYCD-UHFFFAOYSA-N
XLogP0.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide?
The IUPAC name of N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide (CID 18771469) is N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)Nc2ccc(C=O)cc2)CC1.
What is the InChIKey of N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide?
The InChIKey is KMNMSGBDDOJYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)13-12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3.
What are the key properties of N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide?
N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 18771469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).