N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide

C16H21NO3S — CID 7937948

IUPACN-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccco2)c1C
InChIInChI=1S/C16H21NO3S/c1-11-9-12(2)14(4)16(13(11)3)21(18,19)17(5)10-15-7-6-8-20-15/h6-9H,10H2,1-5H3
InChIKeyIGJVHGLFVRPVDE-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.33
Rot. Bonds4

About N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide

N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 7937948) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID7937948
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccco2)c1C
InChIInChI=1S/C16H21NO3S/c1-11-9-12(2)14(4)16(13(11)3)21(18,19)17(5)10-15-7-6-8-20-15/h6-9H,10H2,1-5H3
InChIKeyIGJVHGLFVRPVDE-UHFFFAOYSA-N
XLogP3.33
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428830
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862
N-[(3-chlorophenyl)methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937898
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 7937948) is N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccco2)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is IGJVHGLFVRPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11-9-12(2)14(4)16(13(11)3)21(18,19)17(5)10-15-7-6-8-20-15/h6-9H,10H2,1-5H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 307.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 7937948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).