(4-methylsulfonyl-2-nitrophenyl)hydrazine

C7H9N3O4S — CID 3986701

IUPAC(4-methylsulfonyl-2-nitrophenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O4S/c1-15(13,14)5-2-3-6(9-8)7(4-5)10(11)12/h2-4,9H,8H2,1H3
InChIKeyITGMYWCBISPNSC-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.28
Rot. Bonds3

About (4-methylsulfonyl-2-nitrophenyl)hydrazine

(4-methylsulfonyl-2-nitrophenyl)hydrazine (PubChem CID 3986701) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is (4-methylsulfonyl-2-nitrophenyl)hydrazine.

Molecular Properties

Compound Name(4-methylsulfonyl-2-nitrophenyl)hydrazine
PubChem CID3986701
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name(4-methylsulfonyl-2-nitrophenyl)hydrazine
SMILESCS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O4S/c1-15(13,14)5-2-3-6(9-8)7(4-5)10(11)12/h2-4,9H,8H2,1H3
InChIKeyITGMYWCBISPNSC-UHFFFAOYSA-N
XLogP0.28
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methylsulfonyl-2-nitrophenyl)hydrazine 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

(4-methylsulfonyl-2-nitrophenyl)carbamic acid
CID 155271572
2-(4-methylsulfonyl-2-nitroanilino)ethanesulfonamide
CID 43552379
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
N'-(4-methylsulfonyl-2-nitrophenyl)butane-1,4-diamine
CID 60894165
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
CID 113467300
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
(2R)-2-(4-methylsulfonyl-2-nitroanilino)propanoic acid
CID 120964419
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
2-chloro-4-methyl-N-(4-methylsulfonyl-2-nitrophenyl)aniline
CID 9251273
3-N-(4-methylsulfonyl-2-nitrophenyl)-1-N-phenylbenzene-1,3-diamine
CID 9113113

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonyl-2-nitrophenyl)hydrazine?
The IUPAC name of (4-methylsulfonyl-2-nitrophenyl)hydrazine (CID 3986701) is (4-methylsulfonyl-2-nitrophenyl)hydrazine.
What is the SMILES notation for (4-methylsulfonyl-2-nitrophenyl)hydrazine?
The canonical SMILES for (4-methylsulfonyl-2-nitrophenyl)hydrazine is CS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of (4-methylsulfonyl-2-nitrophenyl)hydrazine?
The InChIKey is ITGMYWCBISPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-15(13,14)5-2-3-6(9-8)7(4-5)10(11)12/h2-4,9H,8H2,1H3.
What are the key properties of (4-methylsulfonyl-2-nitrophenyl)hydrazine?
(4-methylsulfonyl-2-nitrophenyl)hydrazine has a molecular weight of 231.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyl-2-nitrophenyl)hydrazine is sourced from PubChem (CID 3986701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).