5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C16H16ClN3O3S2 — CID 122161506

IUPAC5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C16H16ClN3O3S2/c1-23-15-4-3-13(17)9-16(15)25(21,22)19-10-14(12-5-8-24-11-12)20-7-2-6-18-20/h2-9,11,14,19H,10H2,1H3
InChIKeyPTGYXJCLYOILHV-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.17
Rot. Bonds7

About 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 122161506) has the molecular formula C16H16ClN3O3S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID122161506
Molecular FormulaC16H16ClN3O3S2
Molecular Weight397.91 g/mol
Exact Mass397.03
IUPAC Name5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C16H16ClN3O3S2/c1-23-15-4-3-13(17)9-16(15)25(21,22)19-10-14(12-5-8-24-11-12)20-7-2-6-18-20/h2-9,11,14,19H,10H2,1H3
InChIKeyPTGYXJCLYOILHV-UHFFFAOYSA-N
XLogP3.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161499
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
2,5-dimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933016
5-ethyl-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933093
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932884
methyl 3-[[2-(furan-2-yl)-2-pyrazol-1-ylethyl]sulfamoyl]-4-methoxybenzoate
CID 122266198
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625706
2,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932959
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 122161506) is 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC(c1ccsc1)n1cccn1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is PTGYXJCLYOILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S2/c1-23-15-4-3-13(17)9-16(15)25(21,22)19-10-14(12-5-8-24-11-12)20-7-2-6-18-20/h2-9,11,14,19H,10H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 397.91 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 122161506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).