N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide

C19H22N6O2S — CID 58561375

IUPACN-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)cn1
InChIInChI=1S/C19H22N6O2S/c1-24-14-17(13-22-24)23-28(26,27)18-4-2-15(3-5-18)16-6-7-21-19(12-16)25-10-8-20-9-11-25/h2-7,12-14,20,23H,8-11H2,1H3
InChIKeyIPGNADIGFQQPRW-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.69
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide

N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (PubChem CID 58561375) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
PubChem CID58561375
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)cn1
InChIInChI=1S/C19H22N6O2S/c1-24-14-17(13-22-24)23-28(26,27)18-4-2-15(3-5-18)16-6-7-21-19(12-16)25-10-8-20-9-11-25/h2-7,12-14,20,23H,8-11H2,1H3
InChIKeyIPGNADIGFQQPRW-UHFFFAOYSA-N
XLogP1.69
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (CID 58561375) is N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(-c3ccnc(N4CCNCC4)c3)cc2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The InChIKey is IPGNADIGFQQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-24-14-17(13-22-24)23-28(26,27)18-4-2-15(3-5-18)16-6-7-21-19(12-16)25-10-8-20-9-11-25/h2-7,12-14,20,23H,8-11H2,1H3.
What are the key properties of N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 58561375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).