N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide

C12H17N3O3S2 — CID 106014748

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnn(CCO)c2)s1
InChIInChI=1S/C12H17N3O3S2/c1-2-10-3-4-11(19-10)7-14-20(17,18)12-8-13-15(9-12)5-6-16/h3-4,8-9,14,16H,2,5-7H2,1H3
InChIKeyHTTVAXJJBQKPQO-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.98
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide

N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide (PubChem CID 106014748) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
PubChem CID106014748
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnn(CCO)c2)s1
InChIInChI=1S/C12H17N3O3S2/c1-2-10-3-4-11(19-10)7-14-20(17,18)12-8-13-15(9-12)5-6-16/h3-4,8-9,14,16H,2,5-7H2,1H3
InChIKeyHTTVAXJJBQKPQO-UHFFFAOYSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 114185407
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
CID 107818607
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 131919365
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide (CID 106014748) is N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cnn(CCO)c2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
The InChIKey is HTTVAXJJBQKPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-2-10-3-4-11(19-10)7-14-20(17,18)12-8-13-15(9-12)5-6-16/h3-4,8-9,14,16H,2,5-7H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).