N-(benzenesulfonyl)-N-nitroformamide

C7H6N2O5S — CID 54117272

IUPACN-(benzenesulfonyl)-N-nitroformamide
SMILESO=CN([N+](=O)[O-])S(=O)(=O)c1ccccc1
InChIInChI=1S/C7H6N2O5S/c10-6-8(9(11)12)15(13,14)7-4-2-1-3-5-7/h1-6H
InChIKeyZMVOMIZUEWKAIS-UHFFFAOYSA-N
MW230.20 g/mol
LogP0.03
Rot. Bonds4

About N-(benzenesulfonyl)-N-nitroformamide

N-(benzenesulfonyl)-N-nitroformamide (PubChem CID 54117272) has the molecular formula C7H6N2O5S and a molecular weight of 230.20 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-nitroformamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-nitroformamide
PubChem CID54117272
Molecular FormulaC7H6N2O5S
Molecular Weight230.20 g/mol
Exact Mass230.00
IUPAC NameN-(benzenesulfonyl)-N-nitroformamide
SMILESO=CN([N+](=O)[O-])S(=O)(=O)c1ccccc1
InChIInChI=1S/C7H6N2O5S/c10-6-8(9(11)12)15(13,14)7-4-2-1-3-5-7/h1-6H
InChIKeyZMVOMIZUEWKAIS-UHFFFAOYSA-N
XLogP0.03
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-nitro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 71347765
N-(2-bromoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 23104465
N-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 91547524
benzenesulfonate;cadmium(2+)
CID 22604243
N-[benzenesulfonyl(methyl)amino]formamide
CID 175411358
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
CID 6045437
(E)-2-(benzenesulfonyl)-N,N-dimethyl-2-nitroethenamine
CID 6393769
N-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 53437534
2-[benzenesulfonyl(nitro)amino]hexanoic acid
CID 146458812
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
4-[[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino]-N,N-dimethylbenzenesulfonamide
CID 6289828
4-nitro-N-phenyl-N-[(E)-2-phenylethenyl]benzenesulfonamide
CID 135072639

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-nitroformamide?
The IUPAC name of N-(benzenesulfonyl)-N-nitroformamide (CID 54117272) is N-(benzenesulfonyl)-N-nitroformamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-nitroformamide?
The canonical SMILES for N-(benzenesulfonyl)-N-nitroformamide is O=CN([N+](=O)[O-])S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-nitroformamide?
The InChIKey is ZMVOMIZUEWKAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5S/c10-6-8(9(11)12)15(13,14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of N-(benzenesulfonyl)-N-nitroformamide?
N-(benzenesulfonyl)-N-nitroformamide has a molecular weight of 230.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-nitroformamide is sourced from PubChem (CID 54117272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).