2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C18H21N3O2S2 — CID 121169927

IUPAC2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3cccs3)cc2C)c1
InChIInChI=1S/C18H21N3O2S2/c1-13-6-7-14(2)18(11-13)25(22,23)19-8-9-21-15(3)12-16(20-21)17-5-4-10-24-17/h4-7,10-12,19H,8-9H2,1-3H3
InChIKeyYHZWKIABUINTKV-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.52
Rot. Bonds6

About 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 121169927) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID121169927
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3cccs3)cc2C)c1
InChIInChI=1S/C18H21N3O2S2/c1-13-6-7-14(2)18(11-13)25(22,23)19-8-9-21-15(3)12-16(20-21)17-5-4-10-24-17/h4-7,10-12,19H,8-9H2,1-3H3
InChIKeyYHZWKIABUINTKV-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905802
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4995607
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
1-methylsulfonyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 121169759
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 72718654
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
4-methyl-3,5-dinitro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905791

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 121169927) is 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3cccs3)cc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is YHZWKIABUINTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13-6-7-14(2)18(11-13)25(22,23)19-8-9-21-15(3)12-16(20-21)17-5-4-10-24-17/h4-7,10-12,19H,8-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 375.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121169927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).