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

C18H18N2O6S — CID 135310029

IUPAC4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C18H18N2O6S/c1-11-6-7-12(20(22)23)10-17(11)27(24,25)19-18(21)15-9-8-14-13(15)4-3-5-16(14)26-2/h3-7,10,15H,8-9H2,1-2H3,(H,19,21)
InChIKeyDXRBLOWVRNGPFD-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.45
Rot. Bonds5

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

4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310029) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310029
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C18H18N2O6S/c1-11-6-7-12(20(22)23)10-17(11)27(24,25)19-18(21)15-9-8-14-13(15)4-3-5-16(14)26-2/h3-7,10,15H,8-9H2,1-2H3,(H,19,21)
InChIKeyDXRBLOWVRNGPFD-UHFFFAOYSA-N
XLogP2.45
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.45
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

N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310065
5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310155
(1R)-5-methoxy-N-(2-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309852
4-methoxy-N-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-indene-1-carboxamide
CID 135309984
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309885
(2-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate
CID 26946746
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 26948552
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90575732
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2961539
N-cyclopentyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 83228763
N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309703

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135310029) is 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is DXRBLOWVRNGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-11-6-7-12(20(22)23)10-17(11)27(24,25)19-18(21)15-9-8-14-13(15)4-3-5-16(14)26-2/h3-7,10,15H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).