3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide

C19H26ClN5O4S — CID 137499501

IUPAC3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(Cl)cc2C(C)C)nn1C
InChIInChI=1S/C19H26ClN5O4S/c1-10(2)13-7-12(20)8-14(11(3)4)17(13)22-19(27)24-30(28,29)16-9-15(18(26)21-5)25(6)23-16/h7-11H,1-6H3,(H,21,26)(H2,22,24,27)
InChIKeyWVVXPJBQBDZQAY-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.19
Rot. Bonds6

About 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide

3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 137499501) has the molecular formula C19H26ClN5O4S and a molecular weight of 455.97 g/mol. Its IUPAC name is 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide
PubChem CID137499501
Molecular FormulaC19H26ClN5O4S
Molecular Weight455.97 g/mol
Exact Mass455.14
IUPAC Name3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(Cl)cc2C(C)C)nn1C
InChIInChI=1S/C19H26ClN5O4S/c1-10(2)13-7-12(20)8-14(11(3)4)17(13)22-19(27)24-30(28,29)16-9-15(18(26)21-5)25(6)23-16/h7-11H,1-6H3,(H,21,26)(H2,22,24,27)
InChIKeyWVVXPJBQBDZQAY-UHFFFAOYSA-N
XLogP3.19
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide (CID 137499501) is 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(Cl)cc2C(C)C)nn1C.
What is the InChIKey of 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is WVVXPJBQBDZQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O4S/c1-10(2)13-7-12(20)8-14(11(3)4)17(13)22-19(27)24-30(28,29)16-9-15(18(26)21-5)25(6)23-16/h7-11H,1-6H3,(H,21,26)(H2,22,24,27).
What are the key properties of 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide?
3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 137499501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).