6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole

C8H8FN3O3S — CID 130221894

IUPAC6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
SMILESNS(=O)(=O)NCc1noc2cc(F)ccc12
InChIInChI=1S/C8H8FN3O3S/c9-5-1-2-6-7(4-11-16(10,13)14)12-15-8(6)3-5/h1-3,11H,4H2,(H2,10,13,14)
InChIKeyITWJUCJDYWELBB-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.26
Rot. Bonds3

About 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole

6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole (PubChem CID 130221894) has the molecular formula C8H8FN3O3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
PubChem CID130221894
Molecular FormulaC8H8FN3O3S
Molecular Weight245.23 g/mol
Exact Mass245.03
IUPAC Name6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole
SMILESNS(=O)(=O)NCc1noc2cc(F)ccc12
InChIInChI=1S/C8H8FN3O3S/c9-5-1-2-6-7(4-11-16(10,13)14)12-15-8(6)3-5/h1-3,11H,4H2,(H2,10,13,14)
InChIKeyITWJUCJDYWELBB-UHFFFAOYSA-N
XLogP0.26
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 126797029
1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-3-[(1R,6R)-6-methylcyclohex-3-en-1-yl]urea
CID 154807955
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127
N'-(6-fluoro-1,2-benzoxazol-3-yl)ethane-1,2-diamine
CID 84665921
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
methyl 2-(6-fluoro-1,2-benzoxazol-3-yl)propanoate
CID 22402925
6-fluoro-1,2-benzoxazole-3-carbaldehyde
CID 89169705
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]-3-(1-oxaspiro[4.5]decan-4-yl)urea
CID 139019482
N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]piperidin-1-amine
CID 13319887
2-[4-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 171996006

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole (CID 130221894) is 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole is NS(=O)(=O)NCc1noc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole?
The InChIKey is ITWJUCJDYWELBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3S/c9-5-1-2-6-7(4-11-16(10,13)14)12-15-8(6)3-5/h1-3,11H,4H2,(H2,10,13,14).
What are the key properties of 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole?
6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole has a molecular weight of 245.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(sulfamoylamino)methyl]-1,2-benzoxazole is sourced from PubChem (CID 130221894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).