5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

C16H19ClN4O3S2 — CID 9255284

IUPAC5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN4O3S2/c1-19(26(23,24)16-3-2-14(17)25-16)12-15(22)21-10-8-20(9-11-21)13-4-6-18-7-5-13/h2-7H,8-12H2,1H3
InChIKeyNNZIVQIRSNTRIS-UHFFFAOYSA-N
MW414.94 g/mol
LogP1.77
Rot. Bonds5

About 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 9255284) has the molecular formula C16H19ClN4O3S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID9255284
Molecular FormulaC16H19ClN4O3S2
Molecular Weight414.94 g/mol
Exact Mass414.06
IUPAC Name5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H19ClN4O3S2/c1-19(26(23,24)16-3-2-14(17)25-16)12-15(22)21-10-8-20(9-11-21)13-4-6-18-7-5-13/h2-7H,8-12H2,1H3
InChIKeyNNZIVQIRSNTRIS-UHFFFAOYSA-N
XLogP1.77
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 55656883
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55496223
5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 55376053
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804748
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527430
N-methyl-N-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 56551599
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
N-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 5026377
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 9255284) is 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(c2ccncc2)CC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is NNZIVQIRSNTRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S2/c1-19(26(23,24)16-3-2-14(17)25-16)12-15(22)21-10-8-20(9-11-21)13-4-6-18-7-5-13/h2-7H,8-12H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 414.94 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 9255284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).