4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride

C11H10ClNO5S3 — CID 16771255

IUPAC4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H10ClNO5S3/c1-18-10-5-4-8(20(12,14)15)7-9(10)13-21(16,17)11-3-2-6-19-11/h2-7,13H,1H3
InChIKeyYWWNISDLYCYURI-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.48
Rot. Bonds5

About 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride

4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride (PubChem CID 16771255) has the molecular formula C11H10ClNO5S3 and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
PubChem CID16771255
Molecular FormulaC11H10ClNO5S3
Molecular Weight367.86 g/mol
Exact Mass366.94
IUPAC Name4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H10ClNO5S3/c1-18-10-5-4-8(20(12,14)15)7-9(10)13-21(16,17)11-3-2-6-19-11/h2-7,13H,1H3
InChIKeyYWWNISDLYCYURI-UHFFFAOYSA-N
XLogP2.48
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(2-chloro-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61132271
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
N-[5-(1H-imidazo[4,5-b]pyrazin-2-yl)-2-methoxyphenyl]thiophene-2-sulfonamide
CID 10157032
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-(5-chloro-2-methylsulfinylphenyl)thiophene-2-sulfonamide
CID 67972821

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride (CID 16771255) is 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is YWWNISDLYCYURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO5S3/c1-18-10-5-4-8(20(12,14)15)7-9(10)13-21(16,17)11-3-2-6-19-11/h2-7,13H,1H3.
What are the key properties of 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride?
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 367.86 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 16771255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).