(2-methyl-4-nitrophenyl)methanesulfonamide

C8H10N2O4S — CID 141473969

IUPAC(2-methyl-4-nitrophenyl)methanesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1CS(N)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-6-4-8(10(11)12)3-2-7(6)5-15(9,13)14/h2-4H,5H2,1H3,(H2,9,13,14)
InChIKeyUCVKZLNENAJRNU-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.69
Rot. Bonds3

About (2-methyl-4-nitrophenyl)methanesulfonamide

(2-methyl-4-nitrophenyl)methanesulfonamide (PubChem CID 141473969) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is (2-methyl-4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-methyl-4-nitrophenyl)methanesulfonamide
PubChem CID141473969
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name(2-methyl-4-nitrophenyl)methanesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1CS(N)(=O)=O
InChIInChI=1S/C8H10N2O4S/c1-6-4-8(10(11)12)3-2-7(6)5-15(9,13)14/h2-4H,5H2,1H3,(H2,9,13,14)
InChIKeyUCVKZLNENAJRNU-UHFFFAOYSA-N
XLogP0.69
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methyl-4-nitrophenyl)methanesulfonamide 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-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
1-(3-bromopropyl)-2-methyl-4-nitrobenzene
CID 118847726
(2-methyl-4-nitrophenyl)methylcarbamic acid
CID 143383996
methyl 2-(2-methyl-4-nitrophenyl)acetate
CID 10081813
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1,2-bis(bromomethyl)-4-nitrobenzene;ethane
CID 143301979
azanium 2-methyl-4-nitrobenzenesulfonate
CID 163648407
2-methyl-5-nitroaniline sulfate
CID 20841862
sodium 2-methyl-4-nitrobenzenesulfonate
CID 517339
1-[(Z)-2-ethenylbut-2-enyl]-2-methyl-4-nitrobenzene
CID 143415621
2-methyl-4-nitrophenol;molecular nitrogen
CID 166479227

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-nitrophenyl)methanesulfonamide?
The IUPAC name of (2-methyl-4-nitrophenyl)methanesulfonamide (CID 141473969) is (2-methyl-4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for (2-methyl-4-nitrophenyl)methanesulfonamide?
The canonical SMILES for (2-methyl-4-nitrophenyl)methanesulfonamide is Cc1cc([N+](=O)[O-])ccc1CS(N)(=O)=O.
What is the InChIKey of (2-methyl-4-nitrophenyl)methanesulfonamide?
The InChIKey is UCVKZLNENAJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-6-4-8(10(11)12)3-2-7(6)5-15(9,13)14/h2-4H,5H2,1H3,(H2,9,13,14).
What are the key properties of (2-methyl-4-nitrophenyl)methanesulfonamide?
(2-methyl-4-nitrophenyl)methanesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 141473969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).