N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

C17H18N4O4S — CID 135309999

IUPACN-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C#N)c(C)nn1C
InChIInChI=1S/C17H18N4O4S/c1-10-14(9-18)17(21(2)19-10)26(23,24)20-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13H,7-8H2,1-3H3,(H,20,22)
InChIKeyLTRDUECJVAAHEC-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.14
Rot. Bonds4

About N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309999) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309999
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C#N)c(C)nn1C
InChIInChI=1S/C17H18N4O4S/c1-10-14(9-18)17(21(2)19-10)26(23,24)20-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13H,7-8H2,1-3H3,(H,20,22)
InChIKeyLTRDUECJVAAHEC-UHFFFAOYSA-N
XLogP1.14
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 135309999) is N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C#N)c(C)nn1C.
What is the InChIKey of N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is LTRDUECJVAAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10-14(9-18)17(21(2)19-10)26(23,24)20-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13H,7-8H2,1-3H3,(H,20,22).
What are the key properties of N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).