2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

C17H14N2O2S3 — CID 8801780

IUPAC2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H14N2O2S3/c18-11-14-5-1-2-8-17(14)24(20,21)19(12-15-6-3-9-22-15)13-16-7-4-10-23-16/h1-10H,12-13H2
InChIKeyRBKZNPFINYYNAF-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.07
Rot. Bonds6

About 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 8801780) has the molecular formula C17H14N2O2S3 and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID8801780
Molecular FormulaC17H14N2O2S3
Molecular Weight374.51 g/mol
Exact Mass374.02
IUPAC Name2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C17H14N2O2S3/c18-11-14-5-1-2-8-17(14)24(20,21)19(12-15-6-3-9-22-15)13-16-7-4-10-23-16/h1-10H,12-13H2
InChIKeyRBKZNPFINYYNAF-UHFFFAOYSA-N
XLogP4.07
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9302359
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
N-[(4-bromothiophen-2-yl)methyl]-2-cyano-N-methylbenzenesulfonamide
CID 47318833
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801338
4-[benzyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169521
2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 115602484

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (CID 8801780) is 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is RBKZNPFINYYNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S3/c18-11-14-5-1-2-8-17(14)24(20,21)19(12-15-6-3-9-22-15)13-16-7-4-10-23-16/h1-10H,12-13H2.
What are the key properties of 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 8801780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).