1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole

C15H11ClN2O5S — CID 71493853

IUPAC1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
SMILESCOc1ccc2ccn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C15H11ClN2O5S/c1-23-11-3-2-10-6-7-17(14(10)8-11)24(21,22)12-4-5-13(16)15(9-12)18(19)20/h2-9H,1H3
InChIKeyRUDJMAABQHXSRQ-UHFFFAOYSA-N
MW366.78 g/mol
LogP3.45
Rot. Bonds4

About 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole

1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole (PubChem CID 71493853) has the molecular formula C15H11ClN2O5S and a molecular weight of 366.78 g/mol. Its IUPAC name is 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole.

Molecular Properties

Compound Name1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
PubChem CID71493853
Molecular FormulaC15H11ClN2O5S
Molecular Weight366.78 g/mol
Exact Mass366.01
IUPAC Name1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
SMILESCOc1ccc2ccn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1
InChIInChI=1S/C15H11ClN2O5S/c1-23-11-3-2-10-6-7-17(14(10)8-11)24(21,22)12-4-5-13(16)15(9-12)18(19)20/h2-9H,1H3
InChIKeyRUDJMAABQHXSRQ-UHFFFAOYSA-N
XLogP3.45
TPSA91.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
CID 59781304
(4-chloro-3-nitrophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26203926
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822
6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
CID 141441909
2-(4-chloro-3-nitrophenyl)sulfonyl-6,8-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 71040445
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-(4-chloro-3-nitrophenyl)sulfonylpyrazole
CID 39845417
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 9412029
3-(5-methoxyindol-1-yl)sulfonylaniline
CID 71494345
potassium 4-chloro-3-nitrobenzenesulfonic acid
CID 54600427
N-(4-chloro-3-nitrophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200427

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole?
The IUPAC name of 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole (CID 71493853) is 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole.
What is the SMILES notation for 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole?
The canonical SMILES for 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole is COc1ccc2ccn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1.
What is the InChIKey of 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole?
The InChIKey is RUDJMAABQHXSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O5S/c1-23-11-3-2-10-6-7-17(14(10)8-11)24(21,22)12-4-5-13(16)15(9-12)18(19)20/h2-9H,1H3.
What are the key properties of 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole?
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole has a molecular weight of 366.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole is sourced from PubChem (CID 71493853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).