N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide

C21H19N3O2S — CID 169370080

IUPACN-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(cnn3Cc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-10-20(11-8-16)27(25,26)23-19-9-12-21-18(13-19)14-22-24(21)15-17-5-3-2-4-6-17/h2-14,23H,15H2,1H3
InChIKeyHTSREKRLXFHIDY-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.19
Rot. Bonds5

About N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide

N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 169370080) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
PubChem CID169370080
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(cnn3Cc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-10-20(11-8-16)27(25,26)23-19-9-12-21-18(13-19)14-22-24(21)15-17-5-3-2-4-6-17/h2-14,23H,15H2,1H3
InChIKeyHTSREKRLXFHIDY-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylbenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 1373136
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
N-(1-benzylindazol-5-yl)-6-chloropyrido[3,4-d]pyrimidin-2-amine
CID 90745460
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-[1-benzyl-5-methyl-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67647245
2-[(1-benzylindazol-5-yl)amino]-5-chlorobenzoic acid
CID 90152676
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
1-benzyl-5-pyridazin-4-ylindazole
CID 173219391

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide (CID 169370080) is N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(cnn3Cc3ccccc3)c2)cc1.
What is the InChIKey of N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is HTSREKRLXFHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-16-7-10-20(11-8-16)27(25,26)23-19-9-12-21-18(13-19)14-22-24(21)15-17-5-3-2-4-6-17/h2-14,23H,15H2,1H3.
What are the key properties of N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide?
N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).