potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide

C18H17ClKN5O4S — CID 153463770

IUPACpotassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide
SMILESCCc1nnc2n1CCOc1ncc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc1-2.[K+]
InChIInChI=1S/C18H17ClN5O4S.K/c1-3-16-21-22-17-13-9-12(10-20-18(13)28-7-6-24(16)17)23-29(25,26)15-8-11(19)4-5-14(15)27-2;/h4-5,8-10H,3,6-7H2,1-2H3;/q-1;+1
InChIKeyNXSFCGWIUUUDPH-UHFFFAOYSA-N
MW473.98 g/mol
LogP0.35
Rot. Bonds5

About potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide

potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide (PubChem CID 153463770) has the molecular formula C18H17ClKN5O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide.

Molecular Properties

Compound Namepotassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide
PubChem CID153463770
Molecular FormulaC18H17ClKN5O4S
Molecular Weight473.98 g/mol
Exact Mass473.03
IUPAC Namepotassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide
SMILESCCc1nnc2n1CCOc1ncc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc1-2.[K+]
InChIInChI=1S/C18H17ClN5O4S.K/c1-3-16-21-22-17-13-9-12(10-20-18(13)28-7-6-24(16)17)23-29(25,26)15-8-11(19)4-5-14(15)27-2;/h4-5,8-10H,3,6-7H2,1-2H3;/q-1;+1
InChIKeyNXSFCGWIUUUDPH-UHFFFAOYSA-N
XLogP0.35
TPSA110.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide?
The IUPAC name of potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide (CID 153463770) is potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide.
What is the SMILES notation for potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide?
The canonical SMILES for potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide is CCc1nnc2n1CCOc1ncc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc1-2.[K+].
What is the InChIKey of potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide?
The InChIKey is NXSFCGWIUUUDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN5O4S.K/c1-3-16-21-22-17-13-9-12(10-20-18(13)28-7-6-24(16)17)23-29(25,26)15-8-11(19)4-5-14(15)27-2;/h4-5,8-10H,3,6-7H2,1-2H3;/q-1;+1.
What are the key properties of potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide?
potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide has a molecular weight of 473.98 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-chloro-2-methoxyphenyl)sulfonyl-(5-ethyl-9-oxa-3,4,6,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl)azanide is sourced from PubChem (CID 153463770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).