N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide

C9H11ClN2O4S — CID 60641413

IUPACN-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H11ClN2O4S/c1-2-5-17(15,16)11-9-4-3-7(12(13)14)6-8(9)10/h3-4,6,11H,2,5H2,1H3
InChIKeySZUKTEJWBNCKBN-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.40
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide

N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide (PubChem CID 60641413) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
PubChem CID60641413
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC NameN-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H11ClN2O4S/c1-2-5-17(15,16)11-9-4-3-7(12(13)14)6-8(9)10/h3-4,6,11H,2,5H2,1H3
InChIKeySZUKTEJWBNCKBN-UHFFFAOYSA-N
XLogP2.40
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 52.40
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

2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N,2-dichloro-4-nitroaniline
CID 57242965
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
CID 60640769
N-(2-bromo-4-nitrophenyl)-2-(methylamino)ethanesulfonamide
CID 114003680
N-but-2-ynyl-2-chloro-4-nitroaniline
CID 115869271
2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
2-chloro-N-(3-ethylpentan-2-yl)-4-nitroaniline
CID 63837104

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide (CID 60641413) is N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide?
The InChIKey is SZUKTEJWBNCKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c1-2-5-17(15,16)11-9-4-3-7(12(13)14)6-8(9)10/h3-4,6,11H,2,5H2,1H3.
What are the key properties of N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide?
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide has a molecular weight of 278.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60641413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).