4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide

C17H18N2O2S — CID 102141754

IUPAC4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3ccccc3n2C)cc1
InChIInChI=1S/C17H18N2O2S/c1-13-7-9-16(10-8-13)22(20,21)18-12-15-11-14-5-3-4-6-17(14)19(15)2/h3-11,18H,12H2,1-2H3
InChIKeyAUMKEVCEXIPXRI-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.97
Rot. Bonds4

About 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide

4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide (PubChem CID 102141754) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
PubChem CID102141754
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cc3ccccc3n2C)cc1
InChIInChI=1S/C17H18N2O2S/c1-13-7-9-16(10-8-13)22(20,21)18-12-15-11-14-5-3-4-6-17(14)19(15)2/h3-11,18H,12H2,1-2H3
InChIKeyAUMKEVCEXIPXRI-UHFFFAOYSA-N
XLogP2.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(Z)-1-(1-methylindol-2-yl)ethylideneamino]benzenesulfonamide
CID 5467026
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide
CID 2815625
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
N-[(1-methylindol-2-yl)methyl]propan-1-amine
CID 22593758
4-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90538579
4-methyl-N-[(1-methylindazol-5-yl)methyl]benzenesulfonamide
CID 169029465
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
1-methyl-3-[(4-methylphenyl)methyl]quinolin-2-one
CID 166443267
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide (CID 102141754) is 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cc3ccccc3n2C)cc1.
What is the InChIKey of 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide?
The InChIKey is AUMKEVCEXIPXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13-7-9-16(10-8-13)22(20,21)18-12-15-11-14-5-3-4-6-17(14)19(15)2/h3-11,18H,12H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide?
4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 102141754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).