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

C14H18N4O2S — CID 106059548

IUPAC1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C14H18N4O2S/c15-6-7-18-10-14(9-16-18)21(19,20)17-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-10,17H,1-3,6-7,15H2
InChIKeyPEXIJGWLCPRZIN-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.13
Rot. Bonds5

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

1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide (PubChem CID 106059548) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
PubChem CID106059548
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C14H18N4O2S/c15-6-7-18-10-14(9-16-18)21(19,20)17-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-10,17H,1-3,6-7,15H2
InChIKeyPEXIJGWLCPRZIN-UHFFFAOYSA-N
XLogP1.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
CID 106078329
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95744323
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
CID 106075440
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide (CID 106059548) is 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide?
The InChIKey is PEXIJGWLCPRZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-6-7-18-10-14(9-16-18)21(19,20)17-13-5-4-11-2-1-3-12(11)8-13/h4-5,8-10,17H,1-3,6-7,15H2.
What are the key properties of 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106059548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).