2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

C16H17ClN4O3S — CID 113011206

IUPAC2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cn2)CC1
InChIInChI=1S/C16H17ClN4O3S/c17-14-3-1-2-4-15(14)25(23,24)19-13-5-6-16(18-11-13)21-9-7-20(12-22)8-10-21/h1-6,11-12,19H,7-10H2
InChIKeyZNDYGIOKKICIPV-UHFFFAOYSA-N
MW380.86 g/mol
LogP1.81
Rot. Bonds5

About 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide

2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 113011206) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID113011206
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC Name2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cn2)CC1
InChIInChI=1S/C16H17ClN4O3S/c17-14-3-1-2-4-15(14)25(23,24)19-13-5-6-16(18-11-13)21-9-7-20(12-22)8-10-21/h1-6,11-12,19H,7-10H2
InChIKeyZNDYGIOKKICIPV-UHFFFAOYSA-N
XLogP1.81
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011178
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113011180
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
4-ethoxy-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011203
2,4-dichloro-5-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 74225889
3-[(2-chlorophenyl)sulfonylamino]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126632
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
6-[(2-chlorophenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298264
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039063
3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide (CID 113011206) is 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is O=CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cn2)CC1.
What is the InChIKey of 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is ZNDYGIOKKICIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c17-14-3-1-2-4-15(14)25(23,24)19-13-5-6-16(18-11-13)21-9-7-20(12-22)8-10-21/h1-6,11-12,19H,7-10H2.
What are the key properties of 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide?
2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 380.86 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).