5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride

C10H10ClN3O3S2 — CID 63086454

IUPAC5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccn[nH]1
InChIInChI=1S/C10H10ClN3O3S2/c11-19(16,17)9-2-1-7(18-9)3-5-12-10(15)8-4-6-13-14-8/h1-2,4,6H,3,5H2,(H,12,15)(H,13,14)
InChIKeyQCVWQJUONRZUMG-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.37
Rot. Bonds5

About 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 63086454) has the molecular formula C10H10ClN3O3S2 and a molecular weight of 319.80 g/mol. Its IUPAC name is 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID63086454
Molecular FormulaC10H10ClN3O3S2
Molecular Weight319.80 g/mol
Exact Mass318.99
IUPAC Name5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccn[nH]1
InChIInChI=1S/C10H10ClN3O3S2/c11-19(16,17)9-2-1-7(18-9)3-5-12-10(15)8-4-6-13-14-8/h1-2,4,6H,3,5H2,(H,12,15)(H,13,14)
InChIKeyQCVWQJUONRZUMG-UHFFFAOYSA-N
XLogP1.37
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43110433
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43095043
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
5-[2-(2-ethylhexanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43125512
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063
N-[3-(4-sulfamoylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 63079423
2-oxo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 61129579
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 107519551
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 63086454) is 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)c1ccn[nH]1.
What is the InChIKey of 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is QCVWQJUONRZUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S2/c11-19(16,17)9-2-1-7(18-9)3-5-12-10(15)8-4-6-13-14-8/h1-2,4,6H,3,5H2,(H,12,15)(H,13,14).
What are the key properties of 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 319.80 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-pyrazole-5-carbonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 63086454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).