N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

C17H13BrFN3O3S2 — CID 16944549

IUPACN-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3O3S2/c1-10-15(16(23)21-13-6-2-11(18)3-7-13)26-17(20-10)22-27(24,25)14-8-4-12(19)5-9-14/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyGTDHLXSGMCQIOF-UHFFFAOYSA-N
MW470.35 g/mol
LogP4.41
Rot. Bonds5

About N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944549) has the molecular formula C17H13BrFN3O3S2 and a molecular weight of 470.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944549
Molecular FormulaC17H13BrFN3O3S2
Molecular Weight470.35 g/mol
Exact Mass468.96
IUPAC NameN-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3O3S2/c1-10-15(16(23)21-13-6-2-11(18)3-7-13)26-17(20-10)22-27(24,25)14-8-4-12(19)5-9-14/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyGTDHLXSGMCQIOF-UHFFFAOYSA-N
XLogP4.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16944556
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944549) is N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GTDHLXSGMCQIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O3S2/c1-10-15(16(23)21-13-6-2-11(18)3-7-13)26-17(20-10)22-27(24,25)14-8-4-12(19)5-9-14/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 470.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).