4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide

C15H18N4O3S — CID 69379374

IUPAC4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-11-4-6-12(7-5-11)23(21,22)18-13-10-16-17-14(13)15(20)19-8-2-3-9-19/h4-7,10,18H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyLBYRRPCZNPAUTR-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.75
Rot. Bonds4

About 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide

4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide (PubChem CID 69379374) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide
PubChem CID69379374
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-11-4-6-12(7-5-11)23(21,22)18-13-10-16-17-14(13)15(20)19-8-2-3-9-19/h4-7,10,18H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyLBYRRPCZNPAUTR-UHFFFAOYSA-N
XLogP1.75
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide (CID 69379374) is 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide?
The InChIKey is LBYRRPCZNPAUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-4-6-12(7-5-11)23(21,22)18-13-10-16-17-14(13)15(20)19-8-2-3-9-19/h4-7,10,18H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide?
4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(pyrrolidine-1-carbonyl)-1H-pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 69379374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).