3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide

C16H18N2O2S — CID 110729389

IUPAC3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C16H18N2O2S/c1-12-4-3-5-15(10-12)21(19,20)17-14-6-7-16-13(11-14)8-9-18(16)2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyCFBGKUPSBXJDJB-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.79
Rot. Bonds3

About 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide

3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide (PubChem CID 110729389) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
PubChem CID110729389
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C)c1
InChIInChI=1S/C16H18N2O2S/c1-12-4-3-5-15(10-12)21(19,20)17-14-6-7-16-13(11-14)8-9-18(16)2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyCFBGKUPSBXJDJB-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110639725
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808
2-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 110729408
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzenesulfonamide
CID 16926329
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide (CID 110729389) is 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C)c1.
What is the InChIKey of 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
The InChIKey is CFBGKUPSBXJDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-4-3-5-15(10-12)21(19,20)17-14-6-7-16-13(11-14)8-9-18(16)2/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide?
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110729389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).