4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide

C12H19ClN4O4S — CID 135119969

IUPAC4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C12H19ClN4O4S/c1-16(2)22(19,20)7-8-5-21-6-10(8)14-12(18)11-9(13)4-17(3)15-11/h4,8,10H,5-7H2,1-3H3,(H,14,18)/t8-,10-/m0/s1
InChIKeyNQIDVPFHBJDEGV-WPRPVWTQSA-N
MW350.83 g/mol
LogP-0.29
Rot. Bonds5

About 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide

4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 135119969) has the molecular formula C12H19ClN4O4S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID135119969
Molecular FormulaC12H19ClN4O4S
Molecular Weight350.83 g/mol
Exact Mass350.08
IUPAC Name4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C12H19ClN4O4S/c1-16(2)22(19,20)7-8-5-21-6-10(8)14-12(18)11-9(13)4-17(3)15-11/h4,8,10H,5-7H2,1-3H3,(H,14,18)/t8-,10-/m0/s1
InChIKeyNQIDVPFHBJDEGV-WPRPVWTQSA-N
XLogP-0.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide (CID 135119969) is 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is NQIDVPFHBJDEGV-WPRPVWTQSA-N. The full InChI is InChI=1S/C12H19ClN4O4S/c1-16(2)22(19,20)7-8-5-21-6-10(8)14-12(18)11-9(13)4-17(3)15-11/h4,8,10H,5-7H2,1-3H3,(H,14,18)/t8-,10-/m0/s1.
What are the key properties of 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 350.83 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135119969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).