N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

C17H15ClN2O6S — CID 135310065

IUPACN-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H15ClN2O6S/c1-26-15-4-2-3-11-12(15)6-7-13(11)17(21)19-27(24,25)16-9-10(20(22)23)5-8-14(16)18/h2-5,8-9,13H,6-7H2,1H3,(H,19,21)
InChIKeyOTZRTSZBDLGKEE-UHFFFAOYSA-N
MW410.84 g/mol
LogP2.79
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310065) has the molecular formula C17H15ClN2O6S and a molecular weight of 410.84 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310065
Molecular FormulaC17H15ClN2O6S
Molecular Weight410.84 g/mol
Exact Mass410.03
IUPAC NameN-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C17H15ClN2O6S/c1-26-15-4-2-3-11-12(15)6-7-13(11)17(21)19-27(24,25)16-9-10(20(22)23)5-8-14(16)18/h2-5,8-9,13H,6-7H2,1H3,(H,19,21)
InChIKeyOTZRTSZBDLGKEE-UHFFFAOYSA-N
XLogP2.79
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310029
N-(4-amino-2-chloro-5-methylphenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310096
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309697
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
2-chloro-N-(1-methylcyclopropyl)-5-nitrobenzenesulfonamide
CID 113485393
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205
2-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 3370322
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 135310065) is N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is OTZRTSZBDLGKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O6S/c1-26-15-4-2-3-11-12(15)6-7-13(11)17(21)19-27(24,25)16-9-10(20(22)23)5-8-14(16)18/h2-5,8-9,13H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).