N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide

C13H16N2O2S2 — CID 43453843

IUPACN-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-14-19(16,17)13-6-4-11(5-7-13)15-9-8-12-3-2-10-18-12/h2-7,10,14-15H,8-9H2,1H3
InChIKeyPYCIXKSZOBNGPF-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide

N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide (PubChem CID 43453843) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
PubChem CID43453843
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-14-19(16,17)13-6-4-11(5-7-13)15-9-8-12-3-2-10-18-12/h2-7,10,14-15H,8-9H2,1H3
InChIKeyPYCIXKSZOBNGPF-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-thiophen-2-ylethyl)aniline
CID 43455311
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide (CID 43453843) is N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCCc2cccs2)cc1.
What is the InChIKey of N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide?
The InChIKey is PYCIXKSZOBNGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-14-19(16,17)13-6-4-11(5-7-13)15-9-8-12-3-2-10-18-12/h2-7,10,14-15H,8-9H2,1H3.
What are the key properties of N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide?
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 43453843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).