sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide

C20H28ClN6NaO3S — CID 158189065

IUPACsodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide
SMILESCC(C)c1cc(Cl)cc(NC(=O)[N-]S(=O)(=O)N(c2cnn(C)c2)C2CCCN(C)C2)c1.[Na+]
InChIInChI=1S/C20H29ClN6O3S.Na/c1-14(2)15-8-16(21)10-17(9-15)23-20(28)24-31(29,30)27(19-11-22-26(4)13-19)18-6-5-7-25(3)12-18;/h8-11,13-14,18H,5-7,12H2,1-4H3,(H2,23,24,28);/q;+1/p-1
InChIKeyYIHWPZTUFMYZFT-UHFFFAOYSA-M
MW490.99 g/mol
LogP0.95
Rot. Bonds6

About sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide

sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide (PubChem CID 158189065) has the molecular formula C20H28ClN6NaO3S and a molecular weight of 490.99 g/mol. Its IUPAC name is sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide.

Molecular Properties

Compound Namesodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide
PubChem CID158189065
Molecular FormulaC20H28ClN6NaO3S
Molecular Weight490.99 g/mol
Exact Mass490.15
IUPAC Namesodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide
SMILESCC(C)c1cc(Cl)cc(NC(=O)[N-]S(=O)(=O)N(c2cnn(C)c2)C2CCCN(C)C2)c1.[Na+]
InChIInChI=1S/C20H29ClN6O3S.Na/c1-14(2)15-8-16(21)10-17(9-15)23-20(28)24-31(29,30)27(19-11-22-26(4)13-19)18-6-5-7-25(3)12-18;/h8-11,13-14,18H,5-7,12H2,1-4H3,(H2,23,24,28);/q;+1/p-1
InChIKeyYIHWPZTUFMYZFT-UHFFFAOYSA-M
XLogP0.95
TPSA101.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]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 sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide?
The IUPAC name of sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide (CID 158189065) is sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide.
What is the SMILES notation for sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide?
The canonical SMILES for sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide is CC(C)c1cc(Cl)cc(NC(=O)[N-]S(=O)(=O)N(c2cnn(C)c2)C2CCCN(C)C2)c1.[Na+].
What is the InChIKey of sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide?
The InChIKey is YIHWPZTUFMYZFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H29ClN6O3S.Na/c1-14(2)15-8-16(21)10-17(9-15)23-20(28)24-31(29,30)27(19-11-22-26(4)13-19)18-6-5-7-25(3)12-18;/h8-11,13-14,18H,5-7,12H2,1-4H3,(H2,23,24,28);/q;+1/p-1.
What are the key properties of sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide?
sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide has a molecular weight of 490.99 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide is sourced from PubChem (CID 158189065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).