N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride

C14H22ClN3O3S — CID 119401361

IUPACN-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-2-11-21(19,20)16-13-5-3-12(4-6-13)14(18)17-9-7-15-8-10-17;/h3-6,15-16H,2,7-11H2,1H3;1H
InChIKeyCQCKZUZWKFIJKJ-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.31
Rot. Bonds5

About N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride

N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride (PubChem CID 119401361) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
PubChem CID119401361
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-2-11-21(19,20)16-13-5-3-12(4-6-13)14(18)17-9-7-15-8-10-17;/h3-6,15-16H,2,7-11H2,1H3;1H
InChIKeyCQCKZUZWKFIJKJ-UHFFFAOYSA-N
XLogP1.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63665538
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride (CID 119401361) is N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(C(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
The InChIKey is CQCKZUZWKFIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-2-11-21(19,20)16-13-5-3-12(4-6-13)14(18)17-9-7-15-8-10-17;/h3-6,15-16H,2,7-11H2,1H3;1H.
What are the key properties of N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride?
N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).