N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide

C9H11ClN2O4S — CID 62999282

IUPACN-(4-chloro-3-nitrophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11ClN2O4S/c1-6(2)17(15,16)11-7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3
InChIKeyLDFFULGWTIMBKP-UHFFFAOYSA-N
MW278.72 g/mol
LogP2.40
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide

N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide (PubChem CID 62999282) has the molecular formula C9H11ClN2O4S and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)propane-2-sulfonamide
PubChem CID62999282
Molecular FormulaC9H11ClN2O4S
Molecular Weight278.72 g/mol
Exact Mass278.01
IUPAC NameN-(4-chloro-3-nitrophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11ClN2O4S/c1-6(2)17(15,16)11-7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3
InChIKeyLDFFULGWTIMBKP-UHFFFAOYSA-N
XLogP2.40
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
N-(4-chloro-3-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22775100
N-(3-nitrophenyl)propane-2-sulfonamide
CID 62998710
2-(4-chloro-3-nitroanilino)propanoic acid
CID 66174319
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
CID 19887945
N-(4-chloro-3-nitrophenyl)-4-hexylbenzenesulfonamide
CID 84552306

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide (CID 62999282) is N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide?
The InChIKey is LDFFULGWTIMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S/c1-6(2)17(15,16)11-7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3.
What are the key properties of N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide?
N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide has a molecular weight of 278.72 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide is sourced from PubChem (CID 62999282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).