N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide

C21H17N5O2S — CID 118721261

IUPACN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIInChI=1S/C21H17N5O2S/c1-13-2-3-14(12-22)10-20(13)29(27,28)26-17-7-4-15(5-8-17)16-6-9-18-19(11-16)24-25-21(18)23/h2-11,26H,1H3,(H3,23,24,25)
InChIKeyAKFMVXBPBWEURB-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.79
Rot. Bonds4

About N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide

N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide (PubChem CID 118721261) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide
PubChem CID118721261
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1
InChIInChI=1S/C21H17N5O2S/c1-13-2-3-14(12-22)10-20(13)29(27,28)26-17-7-4-15(5-8-17)16-6-9-18-19(11-16)24-25-21(18)23/h2-11,26H,1H3,(H3,23,24,25)
InChIKeyAKFMVXBPBWEURB-UHFFFAOYSA-N
XLogP3.79
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide (CID 118721261) is N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1.
What is the InChIKey of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide?
The InChIKey is AKFMVXBPBWEURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-13-2-3-14(12-22)10-20(13)29(27,28)26-17-7-4-15(5-8-17)16-6-9-18-19(11-16)24-25-21(18)23/h2-11,26H,1H3,(H3,23,24,25).
What are the key properties of N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide?
N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide has a molecular weight of 403.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-indazol-6-yl)phenyl]-5-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 118721261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).