5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide

C8H12ClNO4S2 — CID 61234555

IUPAC5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCO)CCO
InChIInChI=1S/C8H12ClNO4S2/c9-7-1-2-8(15-7)16(13,14)10(3-5-11)4-6-12/h1-2,11-12H,3-6H2
InChIKeyOMSAWHUGUQJGFC-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.38
Rot. Bonds6

About 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide

5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 61234555) has the molecular formula C8H12ClNO4S2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID61234555
Molecular FormulaC8H12ClNO4S2
Molecular Weight285.77 g/mol
Exact Mass284.99
IUPAC Name5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(CCO)CCO
InChIInChI=1S/C8H12ClNO4S2/c9-7-1-2-8(15-7)16(13,14)10(3-5-11)4-6-12/h1-2,11-12H,3-6H2
InChIKeyOMSAWHUGUQJGFC-UHFFFAOYSA-N
XLogP0.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide (CID 61234555) is 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(CCO)CCO.
What is the InChIKey of 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is OMSAWHUGUQJGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO4S2/c9-7-1-2-8(15-7)16(13,14)10(3-5-11)4-6-12/h1-2,11-12H,3-6H2.
What are the key properties of 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide?
5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 285.77 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61234555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).