N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide

C17H11Br2FN2O3S2 — CID 2473604

IUPACN-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1c(Br)cc(F)cc1Br)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H11Br2FN2O3S2/c18-12-8-10(20)9-13(19)16(12)21-17(23)11-4-1-2-5-14(11)22-27(24,25)15-6-3-7-26-15/h1-9,22H,(H,21,23)
InChIKeyMDRMTMLPQMANCI-UHFFFAOYSA-N
MW534.23 g/mol
LogP5.47
Rot. Bonds5

About N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide

N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2473604) has the molecular formula C17H11Br2FN2O3S2 and a molecular weight of 534.23 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2473604
Molecular FormulaC17H11Br2FN2O3S2
Molecular Weight534.23 g/mol
Exact Mass531.86
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1c(Br)cc(F)cc1Br)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H11Br2FN2O3S2/c18-12-8-10(20)9-13(19)16(12)21-17(23)11-4-1-2-5-14(11)22-27(24,25)15-6-3-7-26-15/h1-9,22H,(H,21,23)
InChIKeyMDRMTMLPQMANCI-UHFFFAOYSA-N
XLogP5.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.23
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 25038247
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 3451346
N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 39459100
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 5064484
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359647
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2473604) is N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1c(Br)cc(F)cc1Br)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MDRMTMLPQMANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2FN2O3S2/c18-12-8-10(20)9-13(19)16(12)21-17(23)11-4-1-2-5-14(11)22-27(24,25)15-6-3-7-26-15/h1-9,22H,(H,21,23).
What are the key properties of N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 534.23 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2473604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).