(2,3-dinitrophenyl)methanesulfonamide

C7H7N3O6S — CID 90109286

IUPAC(2,3-dinitrophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O6S/c8-17(15,16)4-5-2-1-3-6(9(11)12)7(5)10(13)14/h1-3H,4H2,(H2,8,15,16)
InChIKeyYTZYCPDTHWDZEK-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.29
Rot. Bonds4

About (2,3-dinitrophenyl)methanesulfonamide

(2,3-dinitrophenyl)methanesulfonamide (PubChem CID 90109286) has the molecular formula C7H7N3O6S and a molecular weight of 261.21 g/mol. Its IUPAC name is (2,3-dinitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2,3-dinitrophenyl)methanesulfonamide
PubChem CID90109286
Molecular FormulaC7H7N3O6S
Molecular Weight261.21 g/mol
Exact Mass261.01
IUPAC Name(2,3-dinitrophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O6S/c8-17(15,16)4-5-2-1-3-6(9(11)12)7(5)10(13)14/h1-3H,4H2,(H2,8,15,16)
InChIKeyYTZYCPDTHWDZEK-UHFFFAOYSA-N
XLogP0.29
TPSA146.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;1,2,3-trinitrobenzene
CID 174855794
(2,3-dinitrophenyl)methyl-triphenylphosphanium
CID 86092889
1,2-dinitro-3-(3-phenylpropyl)benzene
CID 174655741
2,3-dinitrophenol;1H-pyrrole
CID 141490929
2-(2,3-dinitrophenyl)ethyl formate
CID 91803762
2-[(2,3-dinitrophenyl)methyl]-4-methylbenzenesulfonic acid
CID 87145800
1-chloro-3-(methylsulfonylmethyl)-2-nitrobenzene
CID 142190638
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
2-(2,3-dinitrophenyl)ethyl prop-2-enoate
CID 88709504
N-nitronitramide;1,2,3-trinitrobenzene
CID 175346850
4-[(2-nitrophenyl)methylsulfonyl]aniline
CID 61368787
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203

Frequently Asked Questions

What is the IUPAC name of (2,3-dinitrophenyl)methanesulfonamide?
The IUPAC name of (2,3-dinitrophenyl)methanesulfonamide (CID 90109286) is (2,3-dinitrophenyl)methanesulfonamide.
What is the SMILES notation for (2,3-dinitrophenyl)methanesulfonamide?
The canonical SMILES for (2,3-dinitrophenyl)methanesulfonamide is NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of (2,3-dinitrophenyl)methanesulfonamide?
The InChIKey is YTZYCPDTHWDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O6S/c8-17(15,16)4-5-2-1-3-6(9(11)12)7(5)10(13)14/h1-3H,4H2,(H2,8,15,16).
What are the key properties of (2,3-dinitrophenyl)methanesulfonamide?
(2,3-dinitrophenyl)methanesulfonamide has a molecular weight of 261.21 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dinitrophenyl)methanesulfonamide is sourced from PubChem (CID 90109286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).