N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide

C14H15N3O3S — CID 791360

IUPACN-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-5-7-13(8-6-10)21(19,20)17-12-4-2-3-11(9-12)14(18)16-15/h2-9,17H,15H2,1H3,(H,16,18)
InChIKeyONHXHQVRCDLTBX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.40
Rot. Bonds4

About N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide

N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 791360) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID791360
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN)c2)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-5-7-13(8-6-10)21(19,20)17-12-4-2-3-11(9-12)14(18)16-15/h2-9,17H,15H2,1H3,(H,16,18)
InChIKeyONHXHQVRCDLTBX-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide (CID 791360) is N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NN)c2)cc1.
What is the InChIKey of N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is ONHXHQVRCDLTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-5-7-13(8-6-10)21(19,20)17-12-4-2-3-11(9-12)14(18)16-15/h2-9,17H,15H2,1H3,(H,16,18).
What are the key properties of N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 791360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).