N-[cyano(phenyl)methyl]thiophene-2-sulfonamide

C12H10N2O2S2 — CID 3833145

IUPACN-[cyano(phenyl)methyl]thiophene-2-sulfonamide
SMILESN#CC(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H10N2O2S2/c13-9-11(10-5-2-1-3-6-10)14-18(15,16)12-7-4-8-17-12/h1-8,11,14H
InChIKeyVESFWBYPIDLLAR-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.29
Rot. Bonds4

About N-[cyano(phenyl)methyl]thiophene-2-sulfonamide

N-[cyano(phenyl)methyl]thiophene-2-sulfonamide (PubChem CID 3833145) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]thiophene-2-sulfonamide
PubChem CID3833145
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC NameN-[cyano(phenyl)methyl]thiophene-2-sulfonamide
SMILESN#CC(NS(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C12H10N2O2S2/c13-9-11(10-5-2-1-3-6-10)14-18(15,16)12-7-4-8-17-12/h1-8,11,14H
InChIKeyVESFWBYPIDLLAR-UHFFFAOYSA-N
XLogP2.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707648
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
3-bromo-4-chloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 106605787
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
N-(cyanomethyl)-3-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 87927606

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[cyano(phenyl)methyl]thiophene-2-sulfonamide (CID 3833145) is N-[cyano(phenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[cyano(phenyl)methyl]thiophene-2-sulfonamide is N#CC(NS(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is VESFWBYPIDLLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c13-9-11(10-5-2-1-3-6-10)14-18(15,16)12-7-4-8-17-12/h1-8,11,14H.
What are the key properties of N-[cyano(phenyl)methyl]thiophene-2-sulfonamide?
N-[cyano(phenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 278.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 3833145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).