N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

C23H25N3O3S — CID 135309681

IUPACN-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(-c3c(C)nn(C)c3C)cccc21
InChIInChI=1S/C23H25N3O3S/c1-14-8-5-6-11-21(14)30(28,29)25-23(27)20-13-12-18-17(20)9-7-10-19(18)22-15(2)24-26(4)16(22)3/h5-11,20H,12-13H2,1-4H3,(H,25,27)
InChIKeyRKNHSDVVRMPESH-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.55
Rot. Bonds4

About N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide

N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309681) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309681
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(-c3c(C)nn(C)c3C)cccc21
InChIInChI=1S/C23H25N3O3S/c1-14-8-5-6-11-21(14)30(28,29)25-23(27)20-13-12-18-17(20)9-7-10-19(18)22-15(2)24-26(4)16(22)3/h5-11,20H,12-13H2,1-4H3,(H,25,27)
InChIKeyRKNHSDVVRMPESH-UHFFFAOYSA-N
XLogP3.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide (CID 135309681) is N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(-c3c(C)nn(C)c3C)cccc21.
What is the InChIKey of N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is RKNHSDVVRMPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-8-5-6-11-21(14)30(28,29)25-23(27)20-13-12-18-17(20)9-7-10-19(18)22-15(2)24-26(4)16(22)3/h5-11,20H,12-13H2,1-4H3,(H,25,27).
What are the key properties of N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide?
N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).