5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide

C14H14ClN5O3S2 — CID 121077958

IUPAC5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1c(-c2cccnc2)nn(CCNS(=O)(=O)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C14H14ClN5O3S2/c1-19-13(10-3-2-6-16-9-10)18-20(14(19)21)8-7-17-25(22,23)12-5-4-11(15)24-12/h2-6,9,17H,7-8H2,1H3
InChIKeyMFOCTARRQDMQIY-UHFFFAOYSA-N
MW399.89 g/mol
LogP1.34
Rot. Bonds6

About 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 121077958) has the molecular formula C14H14ClN5O3S2 and a molecular weight of 399.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID121077958
Molecular FormulaC14H14ClN5O3S2
Molecular Weight399.89 g/mol
Exact Mass399.02
IUPAC Name5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1c(-c2cccnc2)nn(CCNS(=O)(=O)c2ccc(Cl)s2)c1=O
InChIInChI=1S/C14H14ClN5O3S2/c1-19-13(10-3-2-6-16-9-10)18-20(14(19)21)8-7-17-25(22,23)12-5-4-11(15)24-12/h2-6,9,17H,7-8H2,1H3
InChIKeyMFOCTARRQDMQIY-UHFFFAOYSA-N
XLogP1.34
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(dimethylsulfamoylamino)ethyl]-4-methyl-5-oxo-1,2,4-triazol-3-yl]pyridine
CID 121077991
5-chloro-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]thiophene-2-sulfonamide
CID 71793725
N-[4-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 121077953
2,5-dimethoxy-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide
CID 121077960
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121117828
2,4-dichloro-N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-5-methylbenzenesulfonamide
CID 121117938
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
2-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121078971
N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]cyclopentanecarboxamide
CID 121078990
2-chloro-4-fluoro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121079000
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 121077958) is 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide is Cn1c(-c2cccnc2)nn(CCNS(=O)(=O)c2ccc(Cl)s2)c1=O.
What is the InChIKey of 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MFOCTARRQDMQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O3S2/c1-19-13(10-3-2-6-16-9-10)18-20(14(19)21)8-7-17-25(22,23)12-5-4-11(15)24-12/h2-6,9,17H,7-8H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 399.89 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121077958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).