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

C14H18N4O2S — CID 63766590

IUPACN-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1c2ccccc2CC1N
InChIInChI=1S/C14H18N4O2S/c1-8-14(9(2)17-16-8)21(19,20)18-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,12-13,18H,7,15H2,1-2H3,(H,16,17)
InChIKeyBEFMIEXEGFPHED-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.93
Rot. Bonds3

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

N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 63766590) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID63766590
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1c2ccccc2CC1N
InChIInChI=1S/C14H18N4O2S/c1-8-14(9(2)17-16-8)21(19,20)18-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,12-13,18H,7,15H2,1-2H3,(H,16,17)
InChIKeyBEFMIEXEGFPHED-UHFFFAOYSA-N
XLogP0.93
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 63766590) is N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1c2ccccc2CC1N.
What is the InChIKey of N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BEFMIEXEGFPHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-14(9(2)17-16-8)21(19,20)18-13-11-6-4-3-5-10(11)7-12(13)15/h3-6,12-13,18H,7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2,3-dihydro-1H-inden-1-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63766590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).