MXVMPODYARUQFZ-UHFFFAOYSA-N

Name: MXVMPODYARUQFZ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₅ClFN₃O₄S₂ — CID 59436534

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

SMILESCOc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1

InChIInChI=1S/C17H15ClFN3O4S2/c1-25-12-4-3-11(16(7-12)26-2)9-22(17-20-10-21-27-17)28(23,24)13-5-6-15(19)14(18)8-13/h3-8,10H,9H2,1-2H3

InChIKeyMXVMPODYARUQFZ-UHFFFAOYSA-N

MW443.91 g/mol

LogP3.74

Rot. Bonds7

About MXVMPODYARUQFZ-UHFFFAOYSA-N

MXVMPODYARUQFZ-UHFFFAOYSA-N (PubChem CID 59436534) has the molecular formula C₁₇H₁₅ClFN₃O₄S₂ and a molecular weight of 443.91 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name	MXVMPODYARUQFZ-UHFFFAOYSA-N
PubChem CID	59436534
Molecular Formula	C₁₇H₁₅ClFN₃O₄S₂
Molecular Weight	443.91 g/mol
Exact Mass	443.02
IUPAC Name	3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILES	COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1
InChI	InChI=1S/C17H15ClFN3O4S2/c1-25-12-4-3-11(16(7-12)26-2)9-22(17-20-10-21-27-17)28(23,24)13-5-6-15(19)14(18)8-13/h3-8,10H,9H2,1-2H3
InChIKey	MXVMPODYARUQFZ-UHFFFAOYSA-N
XLogP	3.74
TPSA	81.62 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.91
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of MXVMPODYARUQFZ-UHFFFAOYSA-N?

The IUPAC name of MXVMPODYARUQFZ-UHFFFAOYSA-N (CID 59436534) is 3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

What is the SMILES notation for MXVMPODYARUQFZ-UHFFFAOYSA-N?

The canonical SMILES for MXVMPODYARUQFZ-UHFFFAOYSA-N is COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c(Cl)c2)c(OC)c1.

What is the InChIKey of MXVMPODYARUQFZ-UHFFFAOYSA-N?

The InChIKey is MXVMPODYARUQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O4S2/c1-25-12-4-3-11(16(7-12)26-2)9-22(17-20-10-21-27-17)28(23,24)13-5-6-15(19)14(18)8-13/h3-8,10H,9H2,1-2H3.

What are the key properties of MXVMPODYARUQFZ-UHFFFAOYSA-N?

MXVMPODYARUQFZ-UHFFFAOYSA-N has a molecular weight of 443.91 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for MXVMPODYARUQFZ-UHFFFAOYSA-N is sourced from PubChem (CID 59436534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 59436534 — identifiers, structure, computed properties (public domain)

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