N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide

C14H13ClN2O4S — CID 19887945

IUPACN-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN2O4S/c1-2-10-5-3-4-6-14(10)22(20,21)16-11-7-8-12(15)13(9-11)17(18)19/h3-9,16H,2H2,1H3
InChIKeyOLHBJMMZMUYVIV-UHFFFAOYSA-N
MW340.79 g/mol
LogP3.61
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide

N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide (PubChem CID 19887945) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
PubChem CID19887945
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN2O4S/c1-2-10-5-3-4-6-14(10)22(20,21)16-11-7-8-12(15)13(9-11)17(18)19/h3-9,16H,2H2,1H3
InChIKeyOLHBJMMZMUYVIV-UHFFFAOYSA-N
XLogP3.61
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.61
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

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-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
N-(4-chloro-3-nitrophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 24656265
5-tert-butyl-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 7940729
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-(4-chloro-3-nitrophenyl)-5-methylthiophene-2-sulfonamide
CID 18225962
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide (CID 19887945) is N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide is CCc1ccccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide?
The InChIKey is OLHBJMMZMUYVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-2-10-5-3-4-6-14(10)22(20,21)16-11-7-8-12(15)13(9-11)17(18)19/h3-9,16H,2H2,1H3.
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide?
N-(4-chloro-3-nitrophenyl)-2-ethylbenzenesulfonamide has a molecular weight of 340.79 g/mol, XLogP of 3.61, 5 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)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 19887945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).