N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide

C13H14ClNO4S2 — CID 51094585

IUPACN-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide
SMILESCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H14ClNO4S2/c1-18-7-8-19-13-10(14)4-2-5-11(13)15-21(16,17)12-6-3-9-20-12/h2-6,9,15H,7-8H2,1H3
InChIKeyKTHXVWOEUASOOG-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.23
Rot. Bonds7

About N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide

N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 51094585) has the molecular formula C13H14ClNO4S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID51094585
Molecular FormulaC13H14ClNO4S2
Molecular Weight347.85 g/mol
Exact Mass347.01
IUPAC NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide
SMILESCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H14ClNO4S2/c1-18-7-8-19-13-10(14)4-2-5-11(13)15-21(16,17)12-6-3-9-20-12/h2-6,9,15H,7-8H2,1H3
InChIKeyKTHXVWOEUASOOG-UHFFFAOYSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 38869455
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
N-[4,5-dichloro-2-[[5-(methylamino)naphthalen-1-yl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101217
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728
4-butoxy-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 30885606
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
4-[2-[2-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68692111
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
sodium;3-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;hydride
CID 173365273

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide (CID 51094585) is N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide is COCCOc1c(Cl)cccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is KTHXVWOEUASOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S2/c1-18-7-8-19-13-10(14)4-2-5-11(13)15-21(16,17)12-6-3-9-20-12/h2-6,9,15H,7-8H2,1H3.
What are the key properties of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide?
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 347.85 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51094585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).