N-(4-chloro-2-nitrophenyl)ethanesulfonamide

C8H9ClN2O4S — CID 60642818

IUPACN-(4-chloro-2-nitrophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O4S/c1-2-16(14,15)10-7-4-3-6(9)5-8(7)11(12)13/h3-5,10H,2H2,1H3
InChIKeyITUGSHIJBKAFRW-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.01
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)ethanesulfonamide

N-(4-chloro-2-nitrophenyl)ethanesulfonamide (PubChem CID 60642818) has the molecular formula C8H9ClN2O4S and a molecular weight of 264.69 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)ethanesulfonamide
PubChem CID60642818
Molecular FormulaC8H9ClN2O4S
Molecular Weight264.69 g/mol
Exact Mass264.00
IUPAC NameN-(4-chloro-2-nitrophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN2O4S/c1-2-16(14,15)10-7-4-3-6(9)5-8(7)11(12)13/h3-5,10H,2H2,1H3
InChIKeyITUGSHIJBKAFRW-UHFFFAOYSA-N
XLogP2.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.01
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-[4-(benzenesulfonyl)-2-nitrophenyl]ethanesulfonamide
CID 57208524
N'-[(4-chloro-2-nitrophenyl)sulfamoyl]ethane-1,2-diamine
CID 84761026
2-(4-chloro-2-nitroanilino)-N-methylethanesulfonamide
CID 103081288
N-(4-chloro-2-nitrophenyl)-2-ethyl-4-sulfanylbenzenesulfonamide
CID 151689979
N-butan-2-yl-4-chloro-2-nitroaniline
CID 43080388
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320
N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
CID 60640769
4-chloro-N-(2-methylpentan-3-yl)-2-nitroaniline
CID 43781661
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
N-(4-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 71847210
N-(4-chloro-2-nitrophenyl)-2-phenylethenesulfonamide
CID 73447777
2-(4-chloro-2-nitroanilino)ethyl-ethylazanium
CID 3267348

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)ethanesulfonamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)ethanesulfonamide (CID 60642818) is N-(4-chloro-2-nitrophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)ethanesulfonamide?
The InChIKey is ITUGSHIJBKAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S/c1-2-16(14,15)10-7-4-3-6(9)5-8(7)11(12)13/h3-5,10H,2H2,1H3.
What are the key properties of N-(4-chloro-2-nitrophenyl)ethanesulfonamide?
N-(4-chloro-2-nitrophenyl)ethanesulfonamide has a molecular weight of 264.69 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)ethanesulfonamide is sourced from PubChem (CID 60642818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).