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

C10H17ClN2O3S2 — CID 103100525

IUPAC5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCOCCNCCNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H17ClN2O3S2/c1-8-7-9(17-10(8)11)18(14,15)13-4-3-12-5-6-16-2/h7,12-13H,3-6H2,1-2H3
InChIKeyHSUVECJXNYHSFI-UHFFFAOYSA-N
MW312.84 g/mol
LogP1.22
Rot. Bonds8

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

5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide (PubChem CID 103100525) has the molecular formula C10H17ClN2O3S2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
PubChem CID103100525
Molecular FormulaC10H17ClN2O3S2
Molecular Weight312.84 g/mol
Exact Mass312.04
IUPAC Name5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCOCCNCCNS(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C10H17ClN2O3S2/c1-8-7-9(17-10(8)11)18(14,15)13-4-3-12-5-6-16-2/h7,12-13H,3-6H2,1-2H3
InChIKeyHSUVECJXNYHSFI-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.22
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

5-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylthiophene-2-sulfonamide
CID 103100201
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
5-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 119046080
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
CID 120717636
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
5-chloro-4-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]thiophene-2-sulfonamide
CID 128586351
(2S)-4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215118

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide (CID 103100525) is 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide is COCCNCCNS(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is HSUVECJXNYHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3S2/c1-8-7-9(17-10(8)11)18(14,15)13-4-3-12-5-6-16-2/h7,12-13H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide?
5-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 312.84 g/mol, XLogP of 1.22, 8 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-methoxyethylamino)ethyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).