N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide

C13H12ClFN2O3S2 — CID 113092899

IUPACN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClFN2O3S2/c1-8(18)17(2)11-4-3-9(15)7-10(11)16-22(19,20)13-6-5-12(14)21-13/h3-7,16H,1-2H3
InChIKeySONGOPMRPNOMMQ-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.32
Rot. Bonds4

About N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide

N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide (PubChem CID 113092899) has the molecular formula C13H12ClFN2O3S2 and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
PubChem CID113092899
Molecular FormulaC13H12ClFN2O3S2
Molecular Weight362.84 g/mol
Exact Mass362.00
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H12ClFN2O3S2/c1-8(18)17(2)11-4-3-9(15)7-10(11)16-22(19,20)13-6-5-12(14)21-13/h3-7,16H,1-2H3
InChIKeySONGOPMRPNOMMQ-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
CID 113092913
5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
CID 113092573
5-chloro-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64786901
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 113000885
N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide
CID 113092818
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
CID 113093138
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide (CID 113092899) is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
The InChIKey is SONGOPMRPNOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S2/c1-8(18)17(2)11-4-3-9(15)7-10(11)16-22(19,20)13-6-5-12(14)21-13/h3-7,16H,1-2H3.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide has a molecular weight of 362.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide is sourced from PubChem (CID 113092899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).