4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane

C11H13ClN4O4S2 — CID 144743143

IUPAC4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane
SMILESCC.NC(=O)c1cc(S(=O)(=O)Cl)sc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C9H7ClN4O4S2.C2H6/c10-20(17,18)6-3-4(7(11)15)9(19-6)13-8(16)5-1-2-12-14-5;1-2/h1-3H,(H2,11,15)(H,12,14)(H,13,16);1-2H3
InChIKeyUGHBNLYKPBIFJY-UHFFFAOYSA-N
MW364.84 g/mol
LogP1.78
Rot. Bonds4

About 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane

4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane (PubChem CID 144743143) has the molecular formula C11H13ClN4O4S2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane.

Molecular Properties

Compound Name4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane
PubChem CID144743143
Molecular FormulaC11H13ClN4O4S2
Molecular Weight364.84 g/mol
Exact Mass364.01
IUPAC Name4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane
SMILESCC.NC(=O)c1cc(S(=O)(=O)Cl)sc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C9H7ClN4O4S2.C2H6/c10-20(17,18)6-3-4(7(11)15)9(19-6)13-8(16)5-1-2-12-14-5;1-2/h1-3H,(H2,11,15)(H,12,14)(H,13,16);1-2H3
InChIKeyUGHBNLYKPBIFJY-UHFFFAOYSA-N
XLogP1.78
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane?
The IUPAC name of 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane (CID 144743143) is 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane.
What is the SMILES notation for 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane?
The canonical SMILES for 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane is CC.NC(=O)c1cc(S(=O)(=O)Cl)sc1NC(=O)c1ccn[nH]1.
What is the InChIKey of 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane?
The InChIKey is UGHBNLYKPBIFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O4S2.C2H6/c10-20(17,18)6-3-4(7(11)15)9(19-6)13-8(16)5-1-2-12-14-5;1-2/h1-3H,(H2,11,15)(H,12,14)(H,13,16);1-2H3.
What are the key properties of 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane?
4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane has a molecular weight of 364.84 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-5-(1H-pyrazole-5-carbonylamino)thiophene-2-sulfonyl chloride;ethane is sourced from PubChem (CID 144743143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).