N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C15H19N3O2S — CID 43420289

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C15H19N3O2S/c1-10-15(11(2)17-16-10)21(19,20)18(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3,(H,16,17)
InChIKeyNEOBOCQPNOUSRE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.33
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43420289) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43420289
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C15H19N3O2S/c1-10-15(11(2)17-16-10)21(19,20)18(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3,(H,16,17)
InChIKeyNEOBOCQPNOUSRE-UHFFFAOYSA-N
XLogP2.33
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691703
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
CID 43577802
N-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylsulfamoyl]phenyl]acetamide
CID 36581354
N-(2,3-dihydro-1H-inden-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104693811
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61447746
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63766590
N,3,5-trimethyl-N-piperidin-3-yl-1H-pyrazole-4-sulfonamide
CID 60807200
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
CID 106266202
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20858807

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 43420289) is N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NEOBOCQPNOUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-15(11(2)17-16-10)21(19,20)18(3)14-9-8-12-6-4-5-7-13(12)14/h4-7,14H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).