N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide

C12H13N5O2S — CID 102693515

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2[nH]1)c1ccn[nH]1
InChIInChI=1S/C12H13N5O2S/c18-20(19,12-6-7-13-17-12)14-8-5-11-15-9-3-1-2-4-10(9)16-11/h1-4,6-7,14H,5,8H2,(H,13,17)(H,15,16)
InChIKeyVMCJXBVRIJPPTN-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.81
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693515) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693515
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2[nH]1)c1ccn[nH]1
InChIInChI=1S/C12H13N5O2S/c18-20(19,12-6-7-13-17-12)14-8-5-11-15-9-3-1-2-4-10(9)16-11/h1-4,6-7,14H,5,8H2,(H,13,17)(H,15,16)
InChIKeyVMCJXBVRIJPPTN-UHFFFAOYSA-N
XLogP0.81
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
ethyl N-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]carbamate
CID 114464444
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethylbenzoic acid
CID 25351513
CID 87640795
CID 87640795
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 102693515) is N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCc1nc2ccccc2[nH]1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is VMCJXBVRIJPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-20(19,12-6-7-13-17-12)14-8-5-11-15-9-3-1-2-4-10(9)16-11/h1-4,6-7,14H,5,8H2,(H,13,17)(H,15,16).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).