N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide

C7H10ClNO3S2 — CID 82120398

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNO3S2/c1-14(11,12)9-4-5(10)6-2-3-7(8)13-6/h2-3,5,9-10H,4H2,1H3
InChIKeyZJJXRZKUFZLLQT-UHFFFAOYSA-N
MW255.75 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide (PubChem CID 82120398) has the molecular formula C7H10ClNO3S2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
PubChem CID82120398
Molecular FormulaC7H10ClNO3S2
Molecular Weight255.75 g/mol
Exact Mass254.98
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNO3S2/c1-14(11,12)9-4-5(10)6-2-3-7(8)13-6/h2-3,5,9-10H,4H2,1H3
InChIKeyZJJXRZKUFZLLQT-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 113260011
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 95988289
1-(5-chlorothiophen-2-yl)-2-(hexan-2-ylamino)ethanol
CID 115725070
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 71989480
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
1-(5-chlorothiophen-2-yl)-3-(propylamino)propan-1-ol
CID 112509992
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 110007680

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide (CID 82120398) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide is CS(=O)(=O)NCC(O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide?
The InChIKey is ZJJXRZKUFZLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3S2/c1-14(11,12)9-4-5(10)6-2-3-7(8)13-6/h2-3,5,9-10H,4H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide has a molecular weight of 255.75 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]methanesulfonamide is sourced from PubChem (CID 82120398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).