3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

C16H20N2O2S — CID 61106187

IUPAC3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-8-14(17)10-15(9-11)21(19,20)18-13(3)16-7-5-4-6-12(16)2/h4-10,13,18H,17H2,1-3H3
InChIKeyFTVPIVPBERJTRF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds4

About 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 61106187) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID61106187
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-8-14(17)10-15(9-11)21(19,20)18-13(3)16-7-5-4-6-12(16)2/h4-10,13,18H,17H2,1-3H3
InChIKeyFTVPIVPBERJTRF-UHFFFAOYSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 61106187) is 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC(C)c2ccccc2C)c1.
What is the InChIKey of 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is FTVPIVPBERJTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-8-14(17)10-15(9-11)21(19,20)18-13(3)16-7-5-4-6-12(16)2/h4-10,13,18H,17H2,1-3H3.
What are the key properties of 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61106187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).