N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide

C16H20N2O2S — CID 43790317

IUPACN-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2cccc(C)c2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-5-4-6-14(11-12)13(2)18-15-7-9-16(10-8-15)21(19,20)17-3/h4-11,13,17-18H,1-3H3
InChIKeyFCSZONKGUANQDA-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide

N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide (PubChem CID 43790317) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
PubChem CID43790317
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2cccc(C)c2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-5-4-6-14(11-12)13(2)18-15-7-9-16(10-8-15)21(19,20)17-3/h4-11,13,17-18H,1-3H3
InChIKeyFCSZONKGUANQDA-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylphenyl)ethyl]-4-methylsulfonylaniline
CID 43761436
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
3-[(1S)-1-[[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97103929
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
CID 43742464
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
2-chloro-N-[1-(3-methylphenyl)ethyl]-5-methylsulfonylaniline
CID 43780658
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
N-methyl-4-[1-[(2-methyl-1,3-benzoxazol-6-yl)amino]ethyl]benzenesulfonamide
CID 86782704

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide?
The IUPAC name of N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide (CID 43790317) is N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide?
The InChIKey is FCSZONKGUANQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-5-4-6-14(11-12)13(2)18-15-7-9-16(10-8-15)21(19,20)17-3/h4-11,13,17-18H,1-3H3.
What are the key properties of N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide?
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 43790317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).