4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide

C14H13Cl2N3O4S — CID 2894600

IUPAC4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N3O4S/c15-10-4-6-11(7-5-10)24(22,23)18-9-8-17-14-12(16)2-1-3-13(14)19(20)21/h1-7,17-18H,8-9H2
InChIKeyWOSHEVQMDVEYBE-UHFFFAOYSA-N
MW390.25 g/mol
LogP3.29
Rot. Bonds7

About 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide

4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide (PubChem CID 2894600) has the molecular formula C14H13Cl2N3O4S and a molecular weight of 390.25 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide
PubChem CID2894600
Molecular FormulaC14H13Cl2N3O4S
Molecular Weight390.25 g/mol
Exact Mass389.00
IUPAC Name4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N3O4S/c15-10-4-6-11(7-5-10)24(22,23)18-9-8-17-14-12(16)2-1-3-13(14)19(20)21/h1-7,17-18H,8-9H2
InChIKeyWOSHEVQMDVEYBE-UHFFFAOYSA-N
XLogP3.29
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 53.29
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

4-chloro-N-[3-(2-chloro-4-nitroanilino)propyl]benzenesulfonamide
CID 2860451
N-[2-(4-Chloro-2-nitro-phenylamino)-ethyl]-benzenesulfonamide
CID 603755
N-[3-(4-Chloro-2-nitro-phenylamino)-propyl]-methanesulfonamide
CID 604059
4-chloro-N-[2-(2-nitroanilino)ethyl]benzenesulfonamide
CID 2846862
N-{2-[(5-chloro-2-nitrophenyl)amino]ethyl}methanesulfonamide
CID 2883355
N-[3-(2-chloro-4-nitroanilino)propyl]benzenesulfonamide
CID 2883472
N-[3-(4-Chloro-2-nitroanilino)propyl]benzenesulfonamide
CID 555715
N-{2-[(2-chloro-6-nitrophenyl)amino]ethyl}benzenesulfonamide
CID 2914229
N-{3-[(2-chloro-6-nitrophenyl)amino]propyl}methanesulfonamide
CID 3138170
n-(2-((4-Chloro-2-nitrophenyl)amino)ethyl)methanesulfonamide
CID 4574330
N-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline
CID 7963357
4-(3-chloro-5-fluoroanilino)-N-methyl-3-nitrobenzenesulfonamide
CID 145960173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide (CID 2894600) is 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide is O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide?
The InChIKey is WOSHEVQMDVEYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4S/c15-10-4-6-11(7-5-10)24(22,23)18-9-8-17-14-12(16)2-1-3-13(14)19(20)21/h1-7,17-18H,8-9H2.
What are the key properties of 4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide?
4-chloro-N-[2-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide has a molecular weight of 390.25 g/mol, XLogP of 3.29, 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-(2-chloro-6-nitroanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 2894600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).