4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

C15H16N2O2S2 — CID 103721070

IUPAC4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2)s1
InChIInChI=1S/C15H16N2O2S2/c1-2-13-5-6-14(20-13)11-17-21(18,19)15-7-3-12(4-8-15)9-10-16/h3-8,17H,2,9,11H2,1H3
InChIKeyIXMZVCLDSDTPOU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.86
Rot. Bonds6

About 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide

4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 103721070) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID103721070
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2)s1
InChIInChI=1S/C15H16N2O2S2/c1-2-13-5-6-14(20-13)11-17-21(18,19)15-7-3-12(4-8-15)9-10-16/h3-8,17H,2,9,11H2,1H3
InChIKeyIXMZVCLDSDTPOU-UHFFFAOYSA-N
XLogP2.86
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(cyanomethyl)benzenesulfonamide
CID 75430809
N-(2-amino-2-methylpropyl)-4-(cyanomethyl)benzenesulfonamide
CID 113282753
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106011806
4-(cyanomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79186636
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
4-(cyanomethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103721191
4-(cyanomethyl)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 79195968
4-(cyanomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883887
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
CID 106442148
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (CID 103721070) is 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(CC#N)cc2)s1.
What is the InChIKey of 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is IXMZVCLDSDTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-2-13-5-6-14(20-13)11-17-21(18,19)15-7-3-12(4-8-15)9-10-16/h3-8,17H,2,9,11H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103721070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).