N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C18H25N5O3S — CID 110397830

IUPACN-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N5O3S/c1-14-17(15(2)21-20-14)27(25,26)19-8-9-22-10-12-23(13-11-22)18(24)16-6-4-3-5-7-16/h3-7,19H,8-13H2,1-2H3,(H,20,21)
InChIKeyDYYNGQWTNGCDCJ-UHFFFAOYSA-N
MW391.50 g/mol
LogP0.76
Rot. Bonds6

About N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110397830) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110397830
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N5O3S/c1-14-17(15(2)21-20-14)27(25,26)19-8-9-22-10-12-23(13-11-22)18(24)16-6-4-3-5-7-16/h3-7,19H,8-13H2,1-2H3,(H,20,21)
InChIKeyDYYNGQWTNGCDCJ-UHFFFAOYSA-N
XLogP0.76
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-1-phenylethanone
CID 110366309
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 110695185
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110328653
N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110789137
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
[4-(bromomethylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 83093371
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572585

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110397830) is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DYYNGQWTNGCDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-14-17(15(2)21-20-14)27(25,26)19-8-9-22-10-12-23(13-11-22)18(24)16-6-4-3-5-7-16/h3-7,19H,8-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 391.50 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110397830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).