N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide

C15H17N3O3S — CID 51086103

IUPACN-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)C2(c3ccccc3)CCC2)cn1
InChIInChI=1S/C15H17N3O3S/c1-18-11-13(10-16-18)22(20,21)17-14(19)15(8-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,19)
InChIKeyZFQLHYXVFYWAPA-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.35
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide

N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 51086103) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide
PubChem CID51086103
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)C2(c3ccccc3)CCC2)cn1
InChIInChI=1S/C15H17N3O3S/c1-18-11-13(10-16-18)22(20,21)17-14(19)15(8-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,19)
InChIKeyZFQLHYXVFYWAPA-UHFFFAOYSA-N
XLogP1.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide (CID 51086103) is N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide is Cn1cc(S(=O)(=O)NC(=O)C2(c3ccccc3)CCC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is ZFQLHYXVFYWAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-18-11-13(10-16-18)22(20,21)17-14(19)15(8-5-9-15)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,17,19).
What are the key properties of N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide?
N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 51086103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).