N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide

C16H25N3O4S — CID 110428724

IUPACN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC
InChIInChI=1S/C16H25N3O4S/c1-3-4-11-24(21,22)17-15-12-14(5-6-16(15)23-2)19-9-7-18(13-20)8-10-19/h5-6,12-13,17H,3-4,7-11H2,1-2H3
InChIKeyYJZCKPNAZSAAEW-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.52
Rot. Bonds8

About N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide

N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide (PubChem CID 110428724) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
PubChem CID110428724
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC
InChIInChI=1S/C16H25N3O4S/c1-3-4-11-24(21,22)17-15-12-14(5-6-16(15)23-2)19-9-7-18(13-20)8-10-19/h5-6,12-13,17H,3-4,7-11H2,1-2H3
InChIKeyYJZCKPNAZSAAEW-UHFFFAOYSA-N
XLogP1.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-methoxy-3-(methylsulfamoylamino)phenyl]piperazine-1-carbaldehyde
CID 110613961
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2-methylbenzenesulfonamide
CID 110604584
2-(2-methoxyethoxy)-N-(2-methoxy-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110613184
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 110604554
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394
4-[2-(butylsulfonylamino)-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid
CID 70078678
2-(2-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)ethanesulfonamide
CID 110357313
3-(4-ethylphenyl)-N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]propanamide
CID 110604577
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
1-butylsulfonyl-4-(3-chloro-4-methoxyphenyl)piperazine
CID 113077135
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide (CID 110428724) is N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide?
The InChIKey is YJZCKPNAZSAAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-4-11-24(21,22)17-15-12-14(5-6-16(15)23-2)19-9-7-18(13-20)8-10-19/h5-6,12-13,17H,3-4,7-11H2,1-2H3.
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide?
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide is sourced from PubChem (CID 110428724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).