3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

C41H50F2N8O5S4 — CID 161307146

IUPAC3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
SMILESC.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H26N4O3S2.C19H20F2N4O2S2.CH4/c1-16-6-7-19(28-2)20(14-16)30(26,27)24-11-5-3-4-10-23-21-25-18(15-29-21)17-8-12-22-13-9-17;20-15-8-7-14(12-16(15)21)29(26,27)24-11-4-1-3-10-23-19-25-18(13-28-19)17-6-2-5-9-22-17;/h6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);2,5-9,12-13,24H,1,3-4,10-11H2,(H,23,25);1H4
InChIKeyVIKDHZWVGRLCNC-UHFFFAOYSA-N
MW901.17 g/mol
LogP8.76
Rot. Bonds21

About 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (PubChem CID 161307146) has the molecular formula C41H50F2N8O5S4 and a molecular weight of 901.17 g/mol. Its IUPAC name is 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
PubChem CID161307146
Molecular FormulaC41H50F2N8O5S4
Molecular Weight901.17 g/mol
Exact Mass900.28
IUPAC Name3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
SMILESC.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1
InChIInChI=1S/C21H26N4O3S2.C19H20F2N4O2S2.CH4/c1-16-6-7-19(28-2)20(14-16)30(26,27)24-11-5-3-4-10-23-21-25-18(15-29-21)17-8-12-22-13-9-17;20-15-8-7-14(12-16(15)21)29(26,27)24-11-4-1-3-10-23-19-25-18(13-28-19)17-6-2-5-9-22-17;/h6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);2,5-9,12-13,24H,1,3-4,10-11H2,(H,23,25);1H4
InChIKeyVIKDHZWVGRLCNC-UHFFFAOYSA-N
XLogP8.76
TPSA177.19 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 58.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide 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

2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 20647101
ethyl (E)-2-[4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]butoxy]phenyl]ethenesulfonate
CID 70697358
2-fluoro-4-[[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25205049
5-fluoro-2-methoxy-N-[3-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 57989730
5-fluoro-N-[2-fluoro-3-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2-methoxybenzenesulfonamide
CID 57989905
5-fluoro-2-methoxy-N-[3-[5-[2-(2-methylsulfonylethylamino)pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 57989950
N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71549372
2-cyclopentyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89493744
N-[5-[4-methoxy-3-[[6-(trifluoromethyl)pyridin-3-yl]sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 89493748
N-(6-chloro-5-fluoro-3-pyridinyl)-5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 89493775
2-cyclohexyl-N-[5-[3-[(6-fluoro-4-methyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89493881
5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 89493892

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (CID 161307146) is 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is C.COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccncc2)cs1.O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The InChIKey is VIKDHZWVGRLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2.C19H20F2N4O2S2.CH4/c1-16-6-7-19(28-2)20(14-16)30(26,27)24-11-5-3-4-10-23-21-25-18(15-29-21)17-8-12-22-13-9-17;20-15-8-7-14(12-16(15)21)29(26,27)24-11-4-1-3-10-23-19-25-18(13-28-19)17-6-2-5-9-22-17;/h6-9,12-15,24H,3-5,10-11H2,1-2H3,(H,23,25);2,5-9,12-13,24H,1,3-4,10-11H2,(H,23,25);1H4.
What are the key properties of 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide has a molecular weight of 901.17 g/mol, XLogP of 8.76, 21 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide;methane;2-methoxy-5-methyl-N-[5-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is sourced from PubChem (CID 161307146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).