N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine

C16H23FN4O3S — CID 53345452

IUPACN-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine
SMILESCCNS(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C16H23FN4O3S/c1-2-18-25(22,23)19-10-11-3-6-13(7-4-11)20-16-21-14-8-5-12(17)9-15(14)24-16/h5,8-9,11,13,18-19H,2-4,6-7,10H2,1H3,(H,20,21)
InChIKeyJYEDZCQPMFGFSP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.38
Rot. Bonds7

About N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine

N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine (PubChem CID 53345452) has the molecular formula C16H23FN4O3S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine
PubChem CID53345452
Molecular FormulaC16H23FN4O3S
Molecular Weight370.45 g/mol
Exact Mass370.15
IUPAC NameN-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine
SMILESCCNS(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3o2)CC1
InChIInChI=1S/C16H23FN4O3S/c1-2-18-25(22,23)19-10-11-3-6-13(7-4-11)20-16-21-14-8-5-12(17)9-15(14)24-16/h5,8-9,11,13,18-19H,2-4,6-7,10H2,1H3,(H,20,21)
InChIKeyJYEDZCQPMFGFSP-UHFFFAOYSA-N
XLogP2.38
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine (CID 53345452) is N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine is CCNS(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3o2)CC1.
What is the InChIKey of N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is JYEDZCQPMFGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3S/c1-2-18-25(22,23)19-10-11-3-6-13(7-4-11)20-16-21-14-8-5-12(17)9-15(14)24-16/h5,8-9,11,13,18-19H,2-4,6-7,10H2,1H3,(H,20,21).
What are the key properties of N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine?
N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 370.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 53345452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).