N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide

C15H18ClN3O2S — CID 10132012

IUPACN-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-14-7-10(16)6-13-11(14)4-3-5-12(13)15-8-17-9-18-15/h6-9,12,19H,2-5H2,1H3,(H,17,18)
InChIKeyKPHOFKGGRDLYCB-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.29
Rot. Bonds4

About N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide

N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (PubChem CID 10132012) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
PubChem CID10132012
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1cnc[nH]1
InChIInChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-14-7-10(16)6-13-11(14)4-3-5-12(13)15-8-17-9-18-15/h6-9,12,19H,2-5H2,1H3,(H,17,18)
InChIKeyKPHOFKGGRDLYCB-UHFFFAOYSA-N
XLogP3.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The IUPAC name of N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide (CID 10132012) is N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The canonical SMILES for N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(Cl)cc2c1CCCC2c1cnc[nH]1.
What is the InChIKey of N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
The InChIKey is KPHOFKGGRDLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-2-22(20,21)19-14-7-10(16)6-13-11(14)4-3-5-12(13)15-8-17-9-18-15/h6-9,12,19H,2-5H2,1H3,(H,17,18).
What are the key properties of N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide?
N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide is sourced from PubChem (CID 10132012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).