5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole

C14H13F2N5O3S — CID 171422806

IUPAC5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole
SMILESNS(=O)(=O)NCc1ccc(-n2nnc3cc(OCF)ccc32)c(F)c1
InChIInChI=1S/C14H13F2N5O3S/c15-8-24-10-2-4-14-12(6-10)19-20-21(14)13-3-1-9(5-11(13)16)7-18-25(17,22)23/h1-6,18H,7-8H2,(H2,17,22,23)
InChIKeyCVVUYHPQXXZVQP-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.16
Rot. Bonds6

About 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole

5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole (PubChem CID 171422806) has the molecular formula C14H13F2N5O3S and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole.

Molecular Properties

Compound Name5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole
PubChem CID171422806
Molecular FormulaC14H13F2N5O3S
Molecular Weight369.35 g/mol
Exact Mass369.07
IUPAC Name5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole
SMILESNS(=O)(=O)NCc1ccc(-n2nnc3cc(OCF)ccc32)c(F)c1
InChIInChI=1S/C14H13F2N5O3S/c15-8-24-10-2-4-14-12(6-10)19-20-21(14)13-3-1-9(5-11(13)16)7-18-25(17,22)23/h1-6,18H,7-8H2,(H2,17,22,23)
InChIKeyCVVUYHPQXXZVQP-UHFFFAOYSA-N
XLogP1.16
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-fluoro-4-(5-methoxybenzotriazol-1-yl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 164599787
1-[2,5-difluoro-4-[(sulfamoylamino)methyl]phenyl]-5-methoxybenzotriazole
CID 164599747
1-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole
CID 164599753
1-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-5-methylbenzotriazole
CID 169099443
6-fluoro-1-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-5-methoxybenzotriazole
CID 169099455
3-fluoro-4-(5-methoxybenzotriazol-1-yl)benzoic acid
CID 169099382
1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63816562
2-fluoro-1-(N-methylanilino)-4-[(sulfamoylamino)methyl]benzene
CID 71939102
ethyl 2-(5-methoxybenzotriazol-1-yl)benzoate
CID 102097625
1-(2-fluoro-4-methylphenyl)benzotriazole-5-carboxylic acid
CID 29077192
methyl 4-[(1-methylbenzotriazol-5-yl)methylsulfamoyl]benzoate
CID 66837875
N-[4-(5-methoxybenzotriazol-1-yl)phenyl]sulfonylformamide
CID 175462571

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole?
The IUPAC name of 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole (CID 171422806) is 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole.
What is the SMILES notation for 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole?
The canonical SMILES for 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole is NS(=O)(=O)NCc1ccc(-n2nnc3cc(OCF)ccc32)c(F)c1.
What is the InChIKey of 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole?
The InChIKey is CVVUYHPQXXZVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O3S/c15-8-24-10-2-4-14-12(6-10)19-20-21(14)13-3-1-9(5-11(13)16)7-18-25(17,22)23/h1-6,18H,7-8H2,(H2,17,22,23).
What are the key properties of 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole?
5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole has a molecular weight of 369.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-1-[2-fluoro-4-[(sulfamoylamino)methyl]phenyl]benzotriazole is sourced from PubChem (CID 171422806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).