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

C17H21N3O5S — CID 135309705

IUPACN-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(CO)c(C)nn1C
InChIInChI=1S/C17H21N3O5S/c1-10-14(9-21)17(20(2)18-10)26(23,24)19-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyZNNQJWZEDDWGJF-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.76
Rot. Bonds5

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

N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309705) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309705
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(CO)c(C)nn1C
InChIInChI=1S/C17H21N3O5S/c1-10-14(9-21)17(20(2)18-10)26(23,24)19-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyZNNQJWZEDDWGJF-UHFFFAOYSA-N
XLogP0.76
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 135309705) is N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(CO)c(C)nn1C.
What is the InChIKey of N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is ZNNQJWZEDDWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-10-14(9-21)17(20(2)18-10)26(23,24)19-16(22)13-8-7-12-11(13)5-4-6-15(12)25-3/h4-6,13,21H,7-9H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).