2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide

C13H14ClNO3S2 — CID 71787852

IUPAC2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3S2/c14-10-4-1-2-6-13(10)20(17,18)15-8-7-11(16)12-5-3-9-19-12/h1-6,9,11,15-16H,7-8H2
InChIKeyYERLJUCDNFKHPN-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.80
Rot. Bonds6

About 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide

2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 71787852) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID71787852
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC Name2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3S2/c14-10-4-1-2-6-13(10)20(17,18)15-8-7-11(16)12-5-3-9-19-12/h1-6,9,11,15-16H,7-8H2
InChIKeyYERLJUCDNFKHPN-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)-3-thiophenesulfonamide
CID 2812772
3-chloro-4-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 52992633
2-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782491
N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787848
2,6-difluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787853
1-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 56764052
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]thiophene-2-sulfonamide
CID 96350509
3-chloro-4-fluoro-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 52416862
3-chloro-4-fluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 52416863
3-chloro-4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)benzenesulfonamide
CID 56764053
3-chloro-4-fluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787860
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-2-sulfonamide
CID 71911383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide (CID 71787852) is 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is YERLJUCDNFKHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c14-10-4-1-2-6-13(10)20(17,18)15-8-7-11(16)12-5-3-9-19-12/h1-6,9,11,15-16H,7-8H2.
What are the key properties of 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide?
2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 71787852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).