N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide

C20H21NO2S2 — CID 46831772

IUPACN,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3ccsc3C)c2)cc1
InChIInChI=1S/C20H21NO2S2/c1-14-5-9-18(10-6-14)25(22,23)21(4)17-8-7-15(2)20(13-17)19-11-12-24-16(19)3/h5-13H,1-4H3
InChIKeyHOTUGYWHDGWXDN-UHFFFAOYSA-N
MW371.53 g/mol
LogP5.17
Rot. Bonds4

About N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide (PubChem CID 46831772) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
PubChem CID46831772
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC NameN,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3ccsc3C)c2)cc1
InChIInChI=1S/C20H21NO2S2/c1-14-5-9-18(10-6-14)25(22,23)21(4)17-8-7-15(2)20(13-17)19-11-12-24-16(19)3/h5-13H,1-4H3
InChIKeyHOTUGYWHDGWXDN-UHFFFAOYSA-N
XLogP5.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide
CID 46833327
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide
CID 154073643
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18438757
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide
CID 35885039
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide (CID 46831772) is N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3ccsc3C)c2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide?
The InChIKey is HOTUGYWHDGWXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-14-5-9-18(10-6-14)25(22,23)21(4)17-8-7-15(2)20(13-17)19-11-12-24-16(19)3/h5-13H,1-4H3.
What are the key properties of N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide has a molecular weight of 371.53 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46831772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).