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

C23H19N5O3S — CID 127044428

IUPAC4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
InChIKeyYVDQCMBKHJXCJP-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.74
Rot. Bonds5

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

4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 127044428) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID127044428
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(24,29)30/h2-14H,1H3,(H,25,26)(H2,24,29,30)
InChIKeyYVDQCMBKHJXCJP-UHFFFAOYSA-N
XLogP3.74
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
4-[[[3-(4-Methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 44530410
4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 57399413
4-methoxy-N-[(1S,3R)-3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentyl]benzenesulfonamide
CID 136198997
4-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135439792
(Z)-2-(1H-benzo[d]imidazol-2-yl)-3-(3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
CID 16428857
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
CID 4869116
N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-imidazol-4-yl)ethanamine
CID 16188137
5-[2-(4-Methoxyphenyl)ethyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708232

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide (CID 127044428) is 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-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-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YVDQCMBKHJXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-31-17-10-6-15(7-11-17)22-19(23-25-20-4-2-3-5-21(20)26-23)14-28(27-22)16-8-12-18(13-9-16)32(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-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 445.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127044428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).