4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide

C14H14ClN3O4S — CID 2883557

IUPAC4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN3O4S/c15-11-1-7-14(8-2-11)23(21,22)17-10-9-16-12-3-5-13(6-4-12)18(19)20/h1-8,16-17H,9-10H2
InChIKeyUKSKVVMXUUWZLM-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.64
Rot. Bonds7

About 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide

4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide (PubChem CID 2883557) has the molecular formula C14H14ClN3O4S and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
PubChem CID2883557
Molecular FormulaC14H14ClN3O4S
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC Name4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN3O4S/c15-11-1-7-14(8-2-11)23(21,22)17-10-9-16-12-3-5-13(6-4-12)18(19)20/h1-8,16-17H,9-10H2
InChIKeyUKSKVVMXUUWZLM-UHFFFAOYSA-N
XLogP2.64
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Aniline, N-(p-chlorophenylthiomethyl)-p-nitro-
CID 23116
N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 459019
4-chloro-N-[3-(2-chloro-4-nitroanilino)propyl]benzenesulfonamide
CID 2860451
N-{3-[(4-nitrophenyl)amino]propyl}benzenesulfonamide
CID 2883302
1-(2,5-Dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 2852663
4-chloro-N-(2-(dimethylamino)ethyl)-3-nitrobenzene-1-sulfonamide
CID 3703122
N-[2-(4-Chloro-2-nitro-phenylamino)-ethyl]-benzenesulfonamide
CID 603755
4-chloro-N-[2-(2-nitroanilino)ethyl]benzenesulfonamide
CID 2846862
N-[3-(2-chloro-4-nitroanilino)propyl]benzenesulfonamide
CID 2883472
4-chloro-N-{2-[(2-chloro-6-nitrophenyl)amino]ethyl}benzenesulfonamide
CID 2894600
4-chloro-N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]benzenesulfonamide
CID 2894776
4-chloro-N-(4-nitrophenyl)benzenesulfonamide
CID 3090008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide (CID 2883557) is 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide is O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide?
The InChIKey is UKSKVVMXUUWZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S/c15-11-1-7-14(8-2-11)23(21,22)17-10-9-16-12-3-5-13(6-4-12)18(19)20/h1-8,16-17H,9-10H2.
What are the key properties of 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide has a molecular weight of 355.80 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 2883557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).