N-(4-nitrophenyl)ethanesulfonamide

C8H10N2O4S — CID 521811

IUPACN-(4-nitrophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O4S/c1-2-15(13,14)9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
InChIKeyZENKIQMTPMONLY-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.36
Rot. Bonds4

About N-(4-nitrophenyl)ethanesulfonamide

N-(4-nitrophenyl)ethanesulfonamide (PubChem CID 521811) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is N-(4-nitrophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)ethanesulfonamide
PubChem CID521811
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC NameN-(4-nitrophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H10N2O4S/c1-2-15(13,14)9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
InChIKeyZENKIQMTPMONLY-UHFFFAOYSA-N
XLogP1.36
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.36
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'}

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Related Compounds

N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-[(4-nitrophenyl)methyl]ethanesulfonamide
CID 47372696
N-(3-methyl-4-nitrophenyl)ethanesulfonamide
CID 64584965
1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide
CID 58743491
CID 174697656
CID 174697656
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
N-[4-[(E)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528869
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)ethanesulfonamide?
The IUPAC name of N-(4-nitrophenyl)ethanesulfonamide (CID 521811) is N-(4-nitrophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-nitrophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-nitrophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)ethanesulfonamide?
The InChIKey is ZENKIQMTPMONLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-2-15(13,14)9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3.
What are the key properties of N-(4-nitrophenyl)ethanesulfonamide?
N-(4-nitrophenyl)ethanesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)ethanesulfonamide is sourced from PubChem (CID 521811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).