N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide

C22H30FN3O2S2 — CID 20651603

IUPACN-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1
InChIInChI=1S/C22H30FN3O2S2/c1-14(2)30(27,28)26-18-10-6-15(7-11-18)13-24-22-25-21-19-12-17(23)9-8-16(19)4-3-5-20(21)29-22/h8-9,12,14-15,18,26H,3-7,10-11,13H2,1-2H3,(H,24,25)
InChIKeyOGEXXEMBYIBFSR-UHFFFAOYSA-N
MW451.63 g/mol
LogP4.74
Rot. Bonds6

About N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 20651603) has the molecular formula C22H30FN3O2S2 and a molecular weight of 451.63 g/mol. Its IUPAC name is N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID20651603
Molecular FormulaC22H30FN3O2S2
Molecular Weight451.63 g/mol
Exact Mass451.18
IUPAC NameN-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1
InChIInChI=1S/C22H30FN3O2S2/c1-14(2)30(27,28)26-18-10-6-15(7-11-18)13-24-22-25-21-19-12-17(23)9-8-16(19)4-3-5-20(21)29-22/h8-9,12,14-15,18,26H,3-7,10-11,13H2,1-2H3,(H,24,25)
InChIKeyOGEXXEMBYIBFSR-UHFFFAOYSA-N
XLogP4.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide with MolForge

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Related Compounds

1-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]pyrrolidin-2-one
CID 20651575
tert-butyl N-[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]butyl]carbamate
CID 87830134
2-chloroethyl-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]carbamic acid
CID 87263777
13-fluoro-4-[4-[methyl(sulfino)amino]butylamino]-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene
CID 90893238
N-[4-[[[4-(6-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 24888710
N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 42601981
2-ethoxy-1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 10159053
N-[4-[[(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939049
N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine
CID 62941997
N-cyclohexyl-N-propan-2-ylformamide;9-fluoro-N-methyl-4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-amine
CID 142023621
6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 116531152
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938861

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide (CID 20651603) is N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.
What is the InChIKey of N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is OGEXXEMBYIBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2S2/c1-14(2)30(27,28)26-18-10-6-15(7-11-18)13-24-22-25-21-19-12-17(23)9-8-16(19)4-3-5-20(21)29-22/h8-9,12,14-15,18,26H,3-7,10-11,13H2,1-2H3,(H,24,25).
What are the key properties of N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 451.63 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 20651603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).