N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide

C13H13ClN2O3S2 — CID 86870275

IUPACN-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C13H13ClN2O3S2/c1-8-3-6-13(20-8)21(18,19)16-12-7-10(14)4-5-11(12)15-9(2)17/h3-7,16H,1-2H3,(H,15,17)
InChIKeyKYPAJFJJOHOTBT-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.47
Rot. Bonds4

About N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide

N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide (PubChem CID 86870275) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
PubChem CID86870275
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC NameN-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C13H13ClN2O3S2/c1-8-3-6-13(20-8)21(18,19)16-12-7-10(14)4-5-11(12)15-9(2)17/h3-7,16H,1-2H3,(H,15,17)
InChIKeyKYPAJFJJOHOTBT-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 39793706
N-(2-fluoro-4-hydroxyphenyl)-5-methylthiophene-2-sulfonamide
CID 64786506
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
N-[5-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 71586137
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18125828
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 103844041

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide (CID 86870275) is N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is KYPAJFJJOHOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c1-8-3-6-13(20-8)21(18,19)16-12-7-10(14)4-5-11(12)15-9(2)17/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide?
N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 344.85 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 86870275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).