3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide

C13H11ClN4O4S — CID 167875091

IUPAC3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCc1c(S(=O)(=O)Nc2cc(C(N)=O)[nH]n2)oc2ccc(Cl)cc12
InChIInChI=1S/C13H11ClN4O4S/c1-6-8-4-7(14)2-3-10(8)22-13(6)23(20,21)18-11-5-9(12(15)19)16-17-11/h2-5H,1H3,(H2,15,19)(H2,16,17,18)
InChIKeyGCWDTUPCNJYQFV-UHFFFAOYSA-N
MW354.78 g/mol
LogP2.02
Rot. Bonds4

About 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide

3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 167875091) has the molecular formula C13H11ClN4O4S and a molecular weight of 354.78 g/mol. Its IUPAC name is 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID167875091
Molecular FormulaC13H11ClN4O4S
Molecular Weight354.78 g/mol
Exact Mass354.02
IUPAC Name3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCc1c(S(=O)(=O)Nc2cc(C(N)=O)[nH]n2)oc2ccc(Cl)cc12
InChIInChI=1S/C13H11ClN4O4S/c1-6-8-4-7(14)2-3-10(8)22-13(6)23(20,21)18-11-5-9(12(15)19)16-17-11/h2-5H,1H3,(H2,15,19)(H2,16,17,18)
InChIKeyGCWDTUPCNJYQFV-UHFFFAOYSA-N
XLogP2.02
TPSA131.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 167875091) is 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide is Cc1c(S(=O)(=O)Nc2cc(C(N)=O)[nH]n2)oc2ccc(Cl)cc12.
What is the InChIKey of 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is GCWDTUPCNJYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O4S/c1-6-8-4-7(14)2-3-10(8)22-13(6)23(20,21)18-11-5-9(12(15)19)16-17-11/h2-5H,1H3,(H2,15,19)(H2,16,17,18).
What are the key properties of 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide?
3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 354.78 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167875091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).