N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C20H31N3O2S2 — CID 42349778

IUPACN-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCCCCCCCC2)c(-c2cccs2)n1
InChIInChI=1S/C20H31N3O2S2/c1-23-16-19(20(21-23)18-14-11-15-26-18)27(24,25)22-17-12-9-7-5-3-2-4-6-8-10-13-17/h11,14-17,22H,2-10,12-13H2,1H3
InChIKeyTYTRRXVDDXDGIR-UHFFFAOYSA-N
MW409.62 g/mol
LogP5.10
Rot. Bonds4

About N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349778) has the molecular formula C20H31N3O2S2 and a molecular weight of 409.62 g/mol. Its IUPAC name is N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349778
Molecular FormulaC20H31N3O2S2
Molecular Weight409.62 g/mol
Exact Mass409.19
IUPAC NameN-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCCCCCCCCC2)c(-c2cccs2)n1
InChIInChI=1S/C20H31N3O2S2/c1-23-16-19(20(21-23)18-14-11-15-26-18)27(24,25)22-17-12-9-7-5-3-2-4-6-8-10-13-17/h11,14-17,22H,2-10,12-13H2,1H3
InChIKeyTYTRRXVDDXDGIR-UHFFFAOYSA-N
XLogP5.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
1-benzyl-N-cyclopropyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351775
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349631
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
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
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349778) is N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCCCCCCCCC2)c(-c2cccs2)n1.
What is the InChIKey of N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is TYTRRXVDDXDGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S2/c1-23-16-19(20(21-23)18-14-11-15-26-18)27(24,25)22-17-12-9-7-5-3-2-4-6-8-10-13-17/h11,14-17,22H,2-10,12-13H2,1H3.
What are the key properties of N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 409.62 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).