5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C15H14BrN3O2S2 — CID 18148720

IUPAC5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc(Br)s1
InChIInChI=1S/C15H14BrN3O2S2/c16-14-6-7-15(22-14)23(20,21)18-9-8-12-10-17-19(11-12)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9H2
InChIKeyPFQYJDCDXXZMKZ-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.22
Rot. Bonds6

About 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 18148720) has the molecular formula C15H14BrN3O2S2 and a molecular weight of 412.33 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID18148720
Molecular FormulaC15H14BrN3O2S2
Molecular Weight412.33 g/mol
Exact Mass410.97
IUPAC Name5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc(Br)s1
InChIInChI=1S/C15H14BrN3O2S2/c16-14-6-7-15(22-14)23(20,21)18-9-8-12-10-17-19(11-12)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9H2
InChIKeyPFQYJDCDXXZMKZ-UHFFFAOYSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 18148720) is 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1cnn(-c2ccccc2)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PFQYJDCDXXZMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S2/c16-14-6-7-15(22-14)23(20,21)18-9-8-12-10-17-19(11-12)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9H2.
What are the key properties of 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 412.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 18148720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).