1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide

C13H14N4O2S2 — CID 106003518

IUPAC1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2ccc3sccc3c2)cn1
InChIInChI=1S/C13H14N4O2S2/c14-4-5-17-9-12(8-15-17)21(18,19)16-11-1-2-13-10(7-11)3-6-20-13/h1-3,6-9,16H,4-5,14H2
InChIKeyJDAYGXKNFZLEQF-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.86
Rot. Bonds5

About 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide (PubChem CID 106003518) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
PubChem CID106003518
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2ccc3sccc3c2)cn1
InChIInChI=1S/C13H14N4O2S2/c14-4-5-17-9-12(8-15-17)21(18,19)16-11-1-2-13-10(7-11)3-6-20-13/h1-3,6-9,16H,4-5,14H2
InChIKeyJDAYGXKNFZLEQF-UHFFFAOYSA-N
XLogP1.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548
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-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
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
CID 106003603
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 65451533

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide (CID 106003518) is 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)Nc2ccc3sccc3c2)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide?
The InChIKey is JDAYGXKNFZLEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c14-4-5-17-9-12(8-15-17)21(18,19)16-11-1-2-13-10(7-11)3-6-20-13/h1-3,6-9,16H,4-5,14H2.
What are the key properties of 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide has a molecular weight of 322.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106003518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).