N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

C17H19N3O4S — CID 9032452

IUPACN-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H19N3O4S/c21-20(22)16-7-5-15(6-8-16)18-10-11-19-25(23,24)17-9-4-13-2-1-3-14(13)12-17/h4-9,12,18-19H,1-3,10-11H2
InChIKeyHBXRCJQKKRISLH-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 9032452) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID9032452
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H19N3O4S/c21-20(22)16-7-5-15(6-8-16)18-10-11-19-25(23,24)17-9-4-13-2-1-3-14(13)12-17/h4-9,12,18-19H,1-3,10-11H2
InChIKeyHBXRCJQKKRISLH-UHFFFAOYSA-N
XLogP2.47
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.47
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

3,4-dichloro-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 2932668
3-cyano-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 27665722
(4-nitrophenyl)methyl 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoate
CID 7829798
4-fluoro-2-methyl-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 34152190
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-hex-5-ynyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 113255945
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-nitrophenyl)acetamide
CID 9398234
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
4-nitro-N-[7-[(4-nitrophenyl)sulfonylamino]heptyl]benzenesulfonamide
CID 4258542

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 9032452) is N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is HBXRCJQKKRISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-20(22)16-7-5-15(6-8-16)18-10-11-19-25(23,24)17-9-4-13-2-1-3-14(13)12-17/h4-9,12,18-19H,1-3,10-11H2.
What are the key properties of N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 9032452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).