2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide

C11H14BrN3O3S2 — CID 106031935

IUPAC2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)Nc2nccs2)c(Br)o1
InChIInChI=1S/C11H14BrN3O3S2/c1-7(2)14-6-8-5-9(10(12)18-8)20(16,17)15-11-13-3-4-19-11/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyVMWKBIZSDDKXKK-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.80
Rot. Bonds6

About 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide

2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide (PubChem CID 106031935) has the molecular formula C11H14BrN3O3S2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
PubChem CID106031935
Molecular FormulaC11H14BrN3O3S2
Molecular Weight380.29 g/mol
Exact Mass378.97
IUPAC Name2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)Nc2nccs2)c(Br)o1
InChIInChI=1S/C11H14BrN3O3S2/c1-7(2)14-6-8-5-9(10(12)18-8)20(16,17)15-11-13-3-4-19-11/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyVMWKBIZSDDKXKK-UHFFFAOYSA-N
XLogP2.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031731
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106031631
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 106031744
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256872
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide (CID 106031935) is 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)Nc2nccs2)c(Br)o1.
What is the InChIKey of 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The InChIKey is VMWKBIZSDDKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S2/c1-7(2)14-6-8-5-9(10(12)18-8)20(16,17)15-11-13-3-4-19-11/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide has a molecular weight of 380.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106031935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).