2-(4-nitrophenyl)sulfonyl-1H-indole

C14H10N2O4S — CID 140573941

IUPAC2-(4-nitrophenyl)sulfonyl-1H-indole
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H10N2O4S/c17-16(18)11-5-7-12(8-6-11)21(19,20)14-9-10-3-1-2-4-13(10)15-14/h1-9,15H
InChIKeySPQWLGXIUFYNDS-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.91
Rot. Bonds3

About 2-(4-nitrophenyl)sulfonyl-1H-indole

2-(4-nitrophenyl)sulfonyl-1H-indole (PubChem CID 140573941) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfonyl-1H-indole.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfonyl-1H-indole
PubChem CID140573941
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name2-(4-nitrophenyl)sulfonyl-1H-indole
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H10N2O4S/c17-16(18)11-5-7-12(8-6-11)21(19,20)14-9-10-3-1-2-4-13(10)15-14/h1-9,15H
InChIKeySPQWLGXIUFYNDS-UHFFFAOYSA-N
XLogP2.91
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.91
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

2-[2-(4-nitrophenoxy)propan-2-yl]-1H-indole
CID 126491644
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
1-(4-nitrophenyl)sulfonylisoquinoline
CID 154248307
1H-indole;5-nitro-1H-indole
CID 172790290
2-(1H-indol-2-yl)-4-[(4-nitrophenyl)diazenyl]phenol
CID 136771287
3-[1-hydroxy-3-(4-nitrophenyl)-3-oxopropyl]-1H-quinolin-2-one
CID 71538013
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
2,4-dinitro-1-(4-nitrophenyl)sulfonylbenzene
CID 611987
1,3-dimethyl-2-(4-nitrophenyl)sulfonylbenzene
CID 86200243
2-(2,4-dinitrophenyl)sulfonylnaphthalene
CID 3090496
2-methyl-4-(4-nitrophenyl)sulfonylbenzo[h]quinoline
CID 10547659
1H-indole-2-sulfonic acid;pyridine
CID 175739122

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)sulfonyl-1H-indole?
The IUPAC name of 2-(4-nitrophenyl)sulfonyl-1H-indole (CID 140573941) is 2-(4-nitrophenyl)sulfonyl-1H-indole.
What is the SMILES notation for 2-(4-nitrophenyl)sulfonyl-1H-indole?
The canonical SMILES for 2-(4-nitrophenyl)sulfonyl-1H-indole is O=[N+]([O-])c1ccc(S(=O)(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfonyl-1H-indole?
The InChIKey is SPQWLGXIUFYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-16(18)11-5-7-12(8-6-11)21(19,20)14-9-10-3-1-2-4-13(10)15-14/h1-9,15H.
What are the key properties of 2-(4-nitrophenyl)sulfonyl-1H-indole?
2-(4-nitrophenyl)sulfonyl-1H-indole has a molecular weight of 302.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfonyl-1H-indole is sourced from PubChem (CID 140573941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).