N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C20H21N5O2S — CID 46379403

IUPACN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N5O2S/c1-13-20(14(2)24-23-13)28(26,27)25-16-8-4-3-7-15(16)11-12-19-21-17-9-5-6-10-18(17)22-19/h3-10,25H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyOXNYPZHGGQVKCC-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 46379403) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID46379403
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N5O2S/c1-13-20(14(2)24-23-13)28(26,27)25-16-8-4-3-7-15(16)11-12-19-21-17-9-5-6-10-18(17)22-19/h3-10,25H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyOXNYPZHGGQVKCC-UHFFFAOYSA-N
XLogP3.49
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide
CID 46379395
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
CID 46328498
N-(2-ethylsulfanylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60934151
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110867609
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81497421
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 78991690
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112983433
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole
CID 102533915

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 46379403) is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OXNYPZHGGQVKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-13-20(14(2)24-23-13)28(26,27)25-16-8-4-3-7-15(16)11-12-19-21-17-9-5-6-10-18(17)22-19/h3-10,25H,11-12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 395.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 46379403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).