N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C15H13N3O4S2 — CID 42285209

IUPACN-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(-c2cccs2)n1
InChIInChI=1S/C15H13N3O4S2/c1-18-8-14(15(16-18)13-3-2-6-23-13)24(19,20)17-10-4-5-11-12(7-10)22-9-21-11/h2-8,17H,9H2,1H3
InChIKeyTUCLVSGCLYFLII-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.68
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42285209) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42285209
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(-c2cccs2)n1
InChIInChI=1S/C15H13N3O4S2/c1-18-8-14(15(16-18)13-3-2-6-23-13)24(19,20)17-10-4-5-11-12(7-10)22-9-21-11/h2-8,17H,9H2,1H3
InChIKeyTUCLVSGCLYFLII-UHFFFAOYSA-N
XLogP2.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285211
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349956
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42285209) is N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(-c2cccs2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is TUCLVSGCLYFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-18-8-14(15(16-18)13-3-2-6-23-13)24(19,20)17-10-4-5-11-12(7-10)22-9-21-11/h2-8,17H,9H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 363.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).