4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline

C16H18N2O2S — CID 61105845

IUPAC4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc(N)cc1)CCC2
InChIInChI=1S/C16H18N2O2S/c1-12-4-2-5-13-6-3-11-18(16(12)13)21(19,20)15-9-7-14(17)8-10-15/h2,4-5,7-10H,3,6,11,17H2,1H3
InChIKeyWFWKHHMQKNXQFN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.72
Rot. Bonds2

About 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline

4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline (PubChem CID 61105845) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline.

Molecular Properties

Compound Name4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
PubChem CID61105845
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc(N)cc1)CCC2
InChIInChI=1S/C16H18N2O2S/c1-12-4-2-5-13-6-3-11-18(16(12)13)21(19,20)15-9-7-14(17)8-10-15/h2,4-5,7-10H,3,6,11,17H2,1H3
InChIKeyWFWKHHMQKNXQFN-UHFFFAOYSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline?
The IUPAC name of 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline (CID 61105845) is 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline.
What is the SMILES notation for 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline?
The canonical SMILES for 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline is Cc1cccc2c1N(S(=O)(=O)c1ccc(N)cc1)CCC2.
What is the InChIKey of 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline?
The InChIKey is WFWKHHMQKNXQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-4-2-5-13-6-3-11-18(16(12)13)21(19,20)15-9-7-14(17)8-10-15/h2,4-5,7-10H,3,6,11,17H2,1H3.
What are the key properties of 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline?
4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline has a molecular weight of 302.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline is sourced from PubChem (CID 61105845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).