N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide

C12H13N5O2S — CID 71998050

IUPACN-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc3[nH]cnc23)cn1
InChIInChI=1S/C12H13N5O2S/c1-2-17-7-9(6-15-17)20(18,19)16-11-5-3-4-10-12(11)14-8-13-10/h3-8,16H,2H2,1H3,(H,13,14)
InChIKeyHQOSJTRRDCLVRQ-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.58
Rot. Bonds4

About N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide

N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 71998050) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID71998050
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cccc3[nH]cnc23)cn1
InChIInChI=1S/C12H13N5O2S/c1-2-17-7-9(6-15-17)20(18,19)16-11-5-3-4-10-12(11)14-8-13-10/h3-8,16H,2H2,1H3,(H,13,14)
InChIKeyHQOSJTRRDCLVRQ-UHFFFAOYSA-N
XLogP1.58
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide (CID 71998050) is N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cccc3[nH]cnc23)cn1.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is HQOSJTRRDCLVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-2-17-7-9(6-15-17)20(18,19)16-11-5-3-4-10-12(11)14-8-13-10/h3-8,16H,2H2,1H3,(H,13,14).
What are the key properties of N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide?
N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71998050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).