N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide

C16H15NO2S3 — CID 12000205

IUPACN-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2cccs2)c2cccs2)cc1
InChIInChI=1S/C16H15NO2S3/c1-12-6-8-13(9-7-12)22(18,19)17-16(14-4-2-10-20-14)15-5-3-11-21-15/h2-11,16-17H,1H3
InChIKeySYJMCAGKZWAZBO-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.19
Rot. Bonds5

About N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide

N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 12000205) has the molecular formula C16H15NO2S3 and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID12000205
Molecular FormulaC16H15NO2S3
Molecular Weight349.50 g/mol
Exact Mass349.03
IUPAC NameN-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2cccs2)c2cccs2)cc1
InChIInChI=1S/C16H15NO2S3/c1-12-6-8-13(9-7-12)22(18,19)17-16(14-4-2-10-20-14)15-5-3-11-21-15/h2-11,16-17H,1H3
InChIKeySYJMCAGKZWAZBO-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-nitrobenzenesulfonamide
CID 8816308
3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 17499037
3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 18279348
4-methyl-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193494
4-methyl-N-[(1S,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110851
N-[thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 121021426
ethyl 4-[[(S)-phenyl(thiophen-2-yl)methyl]sulfamoyl]benzoate
CID 8816031
2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 8816503
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzenesulfonamide
CID 129357101

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide (CID 12000205) is N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2cccs2)c2cccs2)cc1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is SYJMCAGKZWAZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S3/c1-12-6-8-13(9-7-12)22(18,19)17-16(14-4-2-10-20-14)15-5-3-11-21-15/h2-11,16-17H,1H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide?
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 349.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 12000205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).