2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

C13H13N3O2S2 — CID 79614705

IUPAC2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc(C#N)cs1
InChIInChI=1S/C13H13N3O2S2/c1-15-20(17,18)13-5-3-2-4-12(13)16-8-11-6-10(7-14)9-19-11/h2-6,9,15-16H,8H2,1H3
InChIKeyYZSWIIOROMWEAY-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.14
Rot. Bonds5

About 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 79614705) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID79614705
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc(C#N)cs1
InChIInChI=1S/C13H13N3O2S2/c1-15-20(17,18)13-5-3-2-4-12(13)16-8-11-6-10(7-14)9-19-11/h2-6,9,15-16H,8H2,1H3
InChIKeyYZSWIIOROMWEAY-UHFFFAOYSA-N
XLogP2.14
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylsulfanylanilino)methyl]thiophene-3-carbonitrile
CID 79614263
5-[(2-propan-2-ylanilino)methyl]thiophene-3-carbonitrile
CID 79605584
5-[[(2-methyl-3-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 79614650
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79613833
5-[(2-cyano-3-methylanilino)methyl]thiophene-3-carbonitrile
CID 107803270
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 65245869
5-[(2,3-dichloroanilino)methyl]thiophene-3-carbonitrile
CID 79614072
3-[(4-cyanothiophen-2-yl)methylamino]-4-methylbenzenesulfonamide
CID 79613516
5-[(2-fluoro-5-methylsulfonylanilino)methyl]thiophene-3-carbonitrile
CID 79613842
3-bromo-4-[(4-cyanothiophen-2-yl)methylamino]benzenesulfonamide
CID 79614192
5-[(2-piperidin-1-ylanilino)methyl]thiophene-3-carbonitrile
CID 79610426

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 79614705) is 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cc(C#N)cs1.
What is the InChIKey of 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is YZSWIIOROMWEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-15-20(17,18)13-5-3-2-4-12(13)16-8-11-6-10(7-14)9-19-11/h2-6,9,15-16H,8H2,1H3.
What are the key properties of 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 79614705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).