2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide

C11H14ClNO3S — CID 107028417

IUPAC2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
SMILESO=C(NCCOCCO)c1cc(S)ccc1Cl
InChIInChI=1S/C11H14ClNO3S/c12-10-2-1-8(17)7-9(10)11(15)13-3-5-16-6-4-14/h1-2,7,14,17H,3-6H2,(H,13,15)
InChIKeyRLERMFXKBDAYML-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.37
Rot. Bonds6

About 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide

2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide (PubChem CID 107028417) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
PubChem CID107028417
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
SMILESO=C(NCCOCCO)c1cc(S)ccc1Cl
InChIInChI=1S/C11H14ClNO3S/c12-10-2-1-8(17)7-9(10)11(15)13-3-5-16-6-4-14/h1-2,7,14,17H,3-6H2,(H,13,15)
InChIKeyRLERMFXKBDAYML-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3-methylbutoxy)ethyl]-5-sulfanylbenzamide
CID 107027369
2-[(2-chloro-5-sulfanylbenzoyl)amino]ethyl carbamate
CID 107034131
2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
CID 130505013
2-chloro-N-(3-phenoxypropyl)-5-sulfanylbenzamide
CID 107028301
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
2-chloro-N-(4-hydroxy-2-methylbutyl)-5-sulfanylbenzamide
CID 107031763
2-chloro-N-[4-(dimethylamino)butyl]-5-sulfanylbenzamide
CID 107027522
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107021740
2,5-dibromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 103824764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide (CID 107028417) is 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide is O=C(NCCOCCO)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide?
The InChIKey is RLERMFXKBDAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c12-10-2-1-8(17)7-9(10)11(15)13-3-5-16-6-4-14/h1-2,7,14,17H,3-6H2,(H,13,15).
What are the key properties of 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide?
2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide has a molecular weight of 275.76 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107028417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).