N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide

C14H17N3O3S — CID 2428227

IUPACN'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)Cc2cccn2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-5-7-13(8-6-11)21(19,20)16-15-14(18)10-12-4-3-9-17(12)2/h3-9,16H,10H2,1-2H3,(H,15,18)
InChIKeyJEMCSBBVVOTSSJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.89
Rot. Bonds5

About N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide

N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide (PubChem CID 2428227) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide
PubChem CID2428227
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)Cc2cccn2C)cc1
InChIInChI=1S/C14H17N3O3S/c1-11-5-7-13(8-6-11)21(19,20)16-15-14(18)10-12-4-3-9-17(12)2/h3-9,16H,10H2,1-2H3,(H,15,18)
InChIKeyJEMCSBBVVOTSSJ-UHFFFAOYSA-N
XLogP0.89
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide (CID 2428227) is N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccn2C)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide?
The InChIKey is JEMCSBBVVOTSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-11-5-7-13(8-6-11)21(19,20)16-15-14(18)10-12-4-3-9-17(12)2/h3-9,16H,10H2,1-2H3,(H,15,18).
What are the key properties of N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide?
N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide has a molecular weight of 307.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-2-(1-methylpyrrol-2-yl)acetohydrazide is sourced from PubChem (CID 2428227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).