4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide

C23H19N5O2S — CID 127045339

IUPAC4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
InChIKeyHIMCDCBIIUKINL-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.04
Rot. Bonds4

About 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 127045339) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID127045339
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
InChIKeyHIMCDCBIIUKINL-UHFFFAOYSA-N
XLogP4.04
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino) benzenesulfonamide (P2b)
CID 74982356
N,N-dimethyl-4-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
CID 118720611
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
4-[4-(1H-benzimidazol-2-yl)-3-phenylpyrazol-1-yl]benzenesulfonamide
CID 127044252
4-[4-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 127044444
N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162643444
1-(1H-benzimidazol-4-yl)-N-[(E)-(4-methylsulfonylphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 10432939
N-[2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
CID 54767419
10-(1H-benzimidazol-2-yl)-12-(4-chlorophenyl)sulfonyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2(6),3-diene
CID 56679401
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 57343972
US9156811, Ddd73332
CID 57400517

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 127045339) is 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HIMCDCBIIUKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-15-6-8-16(9-7-15)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)17-10-12-18(13-11-17)31(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127045339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).