1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea

C12H16FN3O3S — CID 166350356

IUPAC1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea
SMILESCc1ccncc1S(=O)(=O)NC(=O)NCC1(F)CCC1
InChIInChI=1S/C12H16FN3O3S/c1-9-3-6-14-7-10(9)20(18,19)16-11(17)15-8-12(13)4-2-5-12/h3,6-7H,2,4-5,8H2,1H3,(H2,15,16,17)
InChIKeyKUYRWRNMLHHHFU-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.27
Rot. Bonds4

About 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea

1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea (PubChem CID 166350356) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea.

Molecular Properties

Compound Name1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea
PubChem CID166350356
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea
SMILESCc1ccncc1S(=O)(=O)NC(=O)NCC1(F)CCC1
InChIInChI=1S/C12H16FN3O3S/c1-9-3-6-14-7-10(9)20(18,19)16-11(17)15-8-12(13)4-2-5-12/h3,6-7H,2,4-5,8H2,1H3,(H2,15,16,17)
InChIKeyKUYRWRNMLHHHFU-UHFFFAOYSA-N
XLogP1.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea?
The IUPAC name of 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea (CID 166350356) is 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea.
What is the SMILES notation for 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea?
The canonical SMILES for 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea is Cc1ccncc1S(=O)(=O)NC(=O)NCC1(F)CCC1.
What is the InChIKey of 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea?
The InChIKey is KUYRWRNMLHHHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-9-3-6-14-7-10(9)20(18,19)16-11(17)15-8-12(13)4-2-5-12/h3,6-7H,2,4-5,8H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea?
1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea has a molecular weight of 301.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclobutyl)methyl]-3-[(4-methyl-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 166350356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).