4-nitro-N-prop-2-enylbenzenesulfonamide

C9H10N2O4S — CID 2832204

IUPAC4-nitro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O4S/c1-2-7-10-16(14,15)9-5-3-8(4-6-9)11(12)13/h2-6,10H,1,7H2
InChIKeyXFORESAFCLVQCE-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.06
Rot. Bonds5

About 4-nitro-N-prop-2-enylbenzenesulfonamide

4-nitro-N-prop-2-enylbenzenesulfonamide (PubChem CID 2832204) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-nitro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-prop-2-enylbenzenesulfonamide
PubChem CID2832204
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name4-nitro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O4S/c1-2-7-10-16(14,15)9-5-3-8(4-6-9)11(12)13/h2-6,10H,1,7H2
InChIKeyXFORESAFCLVQCE-UHFFFAOYSA-N
XLogP1.06
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-nitro-N-prop-2-enylbenzenesulfonamide
CID 14451036
4-nitro-N-prop-2-enoxybenzenesulfonamide
CID 134371089
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
N-(2-amino-2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 119988012
N-(2-hydroxy-2-methylpropyl)-4-nitrobenzenesulfonamide
CID 65113024
N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 15751182
N-[2-(2,2-dimethylpropylamino)ethyl]-4-nitrobenzenesulfonamide
CID 119110475
CID 87359197
CID 87359197
4-(4-nitrophenyl)-N-prop-2-enyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
CID 17244113
N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-nitro-N-prop-2-enylbenzenesulfonamide (CID 2832204) is 4-nitro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-nitro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-nitro-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XFORESAFCLVQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-2-7-10-16(14,15)9-5-3-8(4-6-9)11(12)13/h2-6,10H,1,7H2.
What are the key properties of 4-nitro-N-prop-2-enylbenzenesulfonamide?
4-nitro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 242.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2832204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).