N-tert-butylfuran-2-sulfonamide

C8H13NO3S — CID 130652820

IUPACN-tert-butylfuran-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccco1
InChIInChI=1S/C8H13NO3S/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
InChIKeyXANVFAAKZXQZEE-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.36
Rot. Bonds2

About N-tert-butylfuran-2-sulfonamide

N-tert-butylfuran-2-sulfonamide (PubChem CID 130652820) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-tert-butylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butylfuran-2-sulfonamide
PubChem CID130652820
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-tert-butylfuran-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccco1
InChIInChI=1S/C8H13NO3S/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
InChIKeyXANVFAAKZXQZEE-UHFFFAOYSA-N
XLogP1.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylfuran-2-sulfonamide?
The IUPAC name of N-tert-butylfuran-2-sulfonamide (CID 130652820) is N-tert-butylfuran-2-sulfonamide.
What is the SMILES notation for N-tert-butylfuran-2-sulfonamide?
The canonical SMILES for N-tert-butylfuran-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccco1.
What is the InChIKey of N-tert-butylfuran-2-sulfonamide?
The InChIKey is XANVFAAKZXQZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3.
What are the key properties of N-tert-butylfuran-2-sulfonamide?
N-tert-butylfuran-2-sulfonamide has a molecular weight of 203.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylfuran-2-sulfonamide is sourced from PubChem (CID 130652820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).