5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide

C9H14ClNO4S2 — CID 103100201

IUPAC5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCOCCO)sc1Cl
InChIInChI=1S/C9H14ClNO4S2/c1-7-6-8(16-9(7)10)17(13,14)11-2-4-15-5-3-12/h6,11-12H,2-5H2,1H3
InChIKeyRKYZSFNBPVZBEN-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.00
Rot. Bonds7

About 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide

5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide (PubChem CID 103100201) has the molecular formula C9H14ClNO4S2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
PubChem CID103100201
Molecular FormulaC9H14ClNO4S2
Molecular Weight299.80 g/mol
Exact Mass299.01
IUPAC Name5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCOCCO)sc1Cl
InChIInChI=1S/C9H14ClNO4S2/c1-7-6-8(16-9(7)10)17(13,14)11-2-4-15-5-3-12/h6,11-12H,2-5H2,1H3
InChIKeyRKYZSFNBPVZBEN-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100525
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
N-(2-ethoxyethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 114132067
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103100630
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide (CID 103100201) is 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCOCCO)sc1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is RKYZSFNBPVZBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO4S2/c1-7-6-8(16-9(7)10)17(13,14)11-2-4-15-5-3-12/h6,11-12H,2-5H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 299.80 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).