N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

C21H17N5O4S2 — CID 135444767

IUPACN-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C21H17N5O4S2/c1-31(27,28)18-8-4-5-9-19(18)32(29,30)26-13-10-11-15-14(12-13)20(25-24-15)21-22-16-6-2-3-7-17(16)23-21/h2-12,26H,1H3,(H,22,23)(H,24,25)
InChIKeyPPHVRPNSDQPTQP-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.31
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 135444767) has the molecular formula C21H17N5O4S2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
PubChem CID135444767
Molecular FormulaC21H17N5O4S2
Molecular Weight467.53 g/mol
Exact Mass467.07
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C21H17N5O4S2/c1-31(27,28)18-8-4-5-9-19(18)32(29,30)26-13-10-11-15-14(12-13)20(25-24-15)21-22-16-6-2-3-7-17(16)23-21/h2-12,26H,1H3,(H,22,23)(H,24,25)
InChIKeyPPHVRPNSDQPTQP-UHFFFAOYSA-N
XLogP3.31
TPSA137.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide (CID 135444767) is N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is PPHVRPNSDQPTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4S2/c1-31(27,28)18-8-4-5-9-19(18)32(29,30)26-13-10-11-15-14(12-13)20(25-24-15)21-22-16-6-2-3-7-17(16)23-21/h2-12,26H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 467.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 135444767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).