5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide

C19H22ClN3O2S2 — CID 11327711

IUPAC5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1
InChIInChI=1S/C19H22ClN3O2S2/c1-3-14(4-2)19(22-27(24,25)18-11-10-17(20)26-18)16-12-13-21-23(16)15-8-6-5-7-9-15/h5-14,19,22H,3-4H2,1-2H3
InChIKeyWZPMLPHKGKPPSV-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.04
Rot. Bonds8

About 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide

5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide (PubChem CID 11327711) has the molecular formula C19H22ClN3O2S2 and a molecular weight of 423.99 g/mol. Its IUPAC name is 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide
PubChem CID11327711
Molecular FormulaC19H22ClN3O2S2
Molecular Weight423.99 g/mol
Exact Mass423.08
IUPAC Name5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide
SMILESCCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1
InChIInChI=1S/C19H22ClN3O2S2/c1-3-14(4-2)19(22-27(24,25)18-11-10-17(20)26-18)16-12-13-21-23(16)15-8-6-5-7-9-15/h5-14,19,22H,3-4H2,1-2H3
InChIKeyWZPMLPHKGKPPSV-UHFFFAOYSA-N
XLogP5.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide (CID 11327711) is 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide is CCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1.
What is the InChIKey of 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide?
The InChIKey is WZPMLPHKGKPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S2/c1-3-14(4-2)19(22-27(24,25)18-11-10-17(20)26-18)16-12-13-21-23(16)15-8-6-5-7-9-15/h5-14,19,22H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide?
5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide has a molecular weight of 423.99 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11327711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).