N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

C14H17ClN4O2S — CID 84596417

IUPACN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCN(c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C14H17ClN4O2S/c1-18-10-14(8-16-18)22(20,21)17-12-6-7-19(9-12)13-4-2-11(15)3-5-13/h2-5,8,10,12,17H,6-7,9H2,1H3
InChIKeyMFPVXNAVZDZYNG-UHFFFAOYSA-N
MW340.84 g/mol
LogP1.63
Rot. Bonds4

About N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 84596417) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID84596417
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC NameN-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCN(c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C14H17ClN4O2S/c1-18-10-14(8-16-18)22(20,21)17-12-6-7-19(9-12)13-4-2-11(15)3-5-13/h2-5,8,10,12,17H,6-7,9H2,1H3
InChIKeyMFPVXNAVZDZYNG-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (CID 84596417) is N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CCN(c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is MFPVXNAVZDZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-18-10-14(8-16-18)22(20,21)17-12-6-7-19(9-12)13-4-2-11(15)3-5-13/h2-5,8,10,12,17H,6-7,9H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 340.84 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 84596417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).