N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide

C15H19NO4S2 — CID 146091656

IUPACN-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide
SMILESCC(C)(C)S(=O)Cc1cccc(NS(=O)(=O)c2ccco2)c1
InChIInChI=1S/C15H19NO4S2/c1-15(2,3)21(17)11-12-6-4-7-13(10-12)16-22(18,19)14-8-5-9-20-14/h4-10,16H,11H2,1-3H3
InChIKeySIDJTTDYQVZZGW-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.13
Rot. Bonds5

About N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide

N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide (PubChem CID 146091656) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide
PubChem CID146091656
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameN-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide
SMILESCC(C)(C)S(=O)Cc1cccc(NS(=O)(=O)c2ccco2)c1
InChIInChI=1S/C15H19NO4S2/c1-15(2,3)21(17)11-12-6-4-7-13(10-12)16-22(18,19)14-8-5-9-20-14/h4-10,16H,11H2,1-3H3
InChIKeySIDJTTDYQVZZGW-UHFFFAOYSA-N
XLogP3.13
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tert-butylsulfinylmethyl)phenyl]-3-(carbamoylamino)benzamide
CID 119134253
(2S)-2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide
CID 119327234
1-[3-(tert-butylsulfinylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754902
2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
CID 119327254
N-(1-amino-2-methylpropan-2-yl)furan-2-sulfonamide
CID 120874897
5-(aminomethyl)-N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-sulfonamide
CID 106002777
N-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-3-(tert-butylsulfinylmethyl)aniline
CID 167956428
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide?
The IUPAC name of N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide (CID 146091656) is N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide.
What is the SMILES notation for N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide?
The canonical SMILES for N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide is CC(C)(C)S(=O)Cc1cccc(NS(=O)(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide?
The InChIKey is SIDJTTDYQVZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-15(2,3)21(17)11-12-6-4-7-13(10-12)16-22(18,19)14-8-5-9-20-14/h4-10,16H,11H2,1-3H3.
What are the key properties of N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide?
N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide has a molecular weight of 341.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfinylmethyl)phenyl]furan-2-sulfonamide is sourced from PubChem (CID 146091656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).