4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide

C16H17N3O2S — CID 169029465

IUPAC4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc3c(cnn3C)c2)cc1
InChIInChI=1S/C16H17N3O2S/c1-12-3-6-15(7-4-12)22(20,21)18-10-13-5-8-16-14(9-13)11-17-19(16)2/h3-9,11,18H,10H2,1-2H3
InChIKeyRZSBHGPVQGDJTC-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.36
Rot. Bonds4

About 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide

4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide (PubChem CID 169029465) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide
PubChem CID169029465
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc3c(cnn3C)c2)cc1
InChIInChI=1S/C16H17N3O2S/c1-12-3-6-15(7-4-12)22(20,21)18-10-13-5-8-16-14(9-13)11-17-19(16)2/h3-9,11,18H,10H2,1-2H3
InChIKeyRZSBHGPVQGDJTC-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylindazol-5-yl)methanamine
CID 82598913
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
4-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzenesulfonamide
CID 3438770
3-methyl-N-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide
CID 20969632
1,5-dimethylindazole;ethane
CID 90788862
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196562
N-[4-[(1,2-dimethylindol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 4299391
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
N-[[3-(chloromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 65032501

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide (CID 169029465) is 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc3c(cnn3C)c2)cc1.
What is the InChIKey of 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is RZSBHGPVQGDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-3-6-15(7-4-12)22(20,21)18-10-13-5-8-16-14(9-13)11-17-19(16)2/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide?
4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 169029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).