2-[(4-aminophenyl)methylsulfonyl]acetohydrazide

C9H13N3O3S — CID 82177500

IUPAC2-[(4-aminophenyl)methylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C9H13N3O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(13)12-11/h1-4H,5-6,10-11H2,(H,12,13)
InChIKeyDZPQEHYYPSDZDR-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.83
Rot. Bonds4

About 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide

2-[(4-aminophenyl)methylsulfonyl]acetohydrazide (PubChem CID 82177500) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylsulfonyl]acetohydrazide
PubChem CID82177500
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(4-aminophenyl)methylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C9H13N3O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(13)12-11/h1-4H,5-6,10-11H2,(H,12,13)
InChIKeyDZPQEHYYPSDZDR-UHFFFAOYSA-N
XLogP-0.83
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-[(4-aminophenyl)methylsulfonyl]acetic acid
CID 82177716
2-[(4-aminophenyl)methylsulfonyl]-N-benzylacetamide
CID 94804309
2-[(4-aminophenyl)methylsulfonyl]-N-butan-2-ylacetamide
CID 82177625
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
butyl 2-[(4-aminophenyl)methylsulfonyl]acetate
CID 82177656
2-[(4-carbamothioylphenyl)methylsulfonyl]-N-methylacetamide
CID 82178533
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
2-benzylsulfonyl-N-propylacetamide
CID 47155800
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
methyl 2-[[4-[[(5-amino-2-methylbenzoyl)amino]methyl]phenyl]methylsulfonyl]acetate
CID 120639109
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide?
The IUPAC name of 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide (CID 82177500) is 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide.
What is the SMILES notation for 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide?
The canonical SMILES for 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide is NNC(=O)CS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide?
The InChIKey is DZPQEHYYPSDZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c10-8-3-1-7(2-4-8)5-16(14,15)6-9(13)12-11/h1-4H,5-6,10-11H2,(H,12,13).
What are the key properties of 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide?
2-[(4-aminophenyl)methylsulfonyl]acetohydrazide has a molecular weight of 243.29 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylsulfonyl]acetohydrazide is sourced from PubChem (CID 82177500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).