N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide

C19H27N5O5S2 — CID 53078869

IUPACN-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C19H27N5O5S2/c1-4-24-16(3)19(15(2)21-24)31(28,29)23-12-10-22(11-13-23)18(25)14-20-30(26,27)17-8-6-5-7-9-17/h5-9,20H,4,10-14H2,1-3H3
InChIKeyIIGNPZFEQQBWGK-UHFFFAOYSA-N
MW469.59 g/mol
LogP0.33
Rot. Bonds7

About N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide

N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 53078869) has the molecular formula C19H27N5O5S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID53078869
Molecular FormulaC19H27N5O5S2
Molecular Weight469.59 g/mol
Exact Mass469.15
IUPAC NameN-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C19H27N5O5S2/c1-4-24-16(3)19(15(2)21-24)31(28,29)23-12-10-22(11-13-23)18(25)14-20-30(26,27)17-8-6-5-7-9-17/h5-9,20H,4,10-14H2,1-3H3
InChIKeyIIGNPZFEQQBWGK-UHFFFAOYSA-N
XLogP0.33
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide with MolForge

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Related Compounds

1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 53078931
1-[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 53078756
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 71997545
1-[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanone
CID 53078738
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55339531
[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 53078717
(2S)-1-[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-phenoxypropan-1-one
CID 97044051
1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
N-[2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 110446224
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1006322
1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-2-(methylamino)ethanone
CID 119748126

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 53078869) is N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide is CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is IIGNPZFEQQBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5S2/c1-4-24-16(3)19(15(2)21-24)31(28,29)23-12-10-22(11-13-23)18(25)14-20-30(26,27)17-8-6-5-7-9-17/h5-9,20H,4,10-14H2,1-3H3.
What are the key properties of N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 469.59 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 53078869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).