N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide

C21H21ClFN3O3S2 — CID 23442657

IUPACN-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cnc(NCCCCCNS(=O)(=O)c2cccc(F)c2)s1)c1ccccc1Cl
InChIInChI=1S/C21H21ClFN3O3S2/c22-18-10-3-2-9-17(18)20(27)19-14-25-21(30-19)24-11-4-1-5-12-26-31(28,29)16-8-6-7-15(23)13-16/h2-3,6-10,13-14,26H,1,4-5,11-12H2,(H,24,25)
InChIKeyALAVHAZSADFRDX-UHFFFAOYSA-N
MW482.00 g/mol
LogP4.73
Rot. Bonds11

About N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide

N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide (PubChem CID 23442657) has the molecular formula C21H21ClFN3O3S2 and a molecular weight of 482.00 g/mol. Its IUPAC name is N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
PubChem CID23442657
Molecular FormulaC21H21ClFN3O3S2
Molecular Weight482.00 g/mol
Exact Mass481.07
IUPAC NameN-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cnc(NCCCCCNS(=O)(=O)c2cccc(F)c2)s1)c1ccccc1Cl
InChIInChI=1S/C21H21ClFN3O3S2/c22-18-10-3-2-9-17(18)20(27)19-14-25-21(30-19)24-11-4-1-5-12-26-31(28,29)16-8-6-7-15(23)13-16/h2-3,6-10,13-14,26H,1,4-5,11-12H2,(H,24,25)
InChIKeyALAVHAZSADFRDX-UHFFFAOYSA-N
XLogP4.73
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.00
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
N-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-4-methoxybenzenesulfonamide
CID 23442534
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide
CID 23442606
3-fluoro-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442586
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
N-[3-[[4-chloro-5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 141075222
4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442746
3-fluoro-N-[6-(imidazo[1,2-d][1,2,4]thiadiazol-3-ylamino)hexyl]benzenesulfonamide
CID 10150727
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
CID 23442678
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
4-chloro-N-[[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11397873

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide (CID 23442657) is N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide is O=C(c1cnc(NCCCCCNS(=O)(=O)c2cccc(F)c2)s1)c1ccccc1Cl.
What is the InChIKey of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide?
The InChIKey is ALAVHAZSADFRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O3S2/c22-18-10-3-2-9-17(18)20(27)19-14-25-21(30-19)24-11-4-1-5-12-26-31(28,29)16-8-6-7-15(23)13-16/h2-3,6-10,13-14,26H,1,4-5,11-12H2,(H,24,25).
What are the key properties of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide?
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide has a molecular weight of 482.00 g/mol, XLogP of 4.73, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 23442657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).