2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide

C13H14ClNO4S — CID 71787723

IUPAC2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1ccco1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO4S/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
InChIKeyQTPQYCPAGJOIFW-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide

2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide (PubChem CID 71787723) has the molecular formula C13H14ClNO4S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
PubChem CID71787723
Molecular FormulaC13H14ClNO4S
Molecular Weight315.78 g/mol
Exact Mass315.03
IUPAC Name2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1ccco1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO4S/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
InChIKeyQTPQYCPAGJOIFW-UHFFFAOYSA-N
XLogP2.34
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
2-chloro-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523486
1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523810
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
CID 90523863
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
2-chloro-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 126850420
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide (CID 71787723) is 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide is O=S(=O)(NCCC(O)c1ccco1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide?
The InChIKey is QTPQYCPAGJOIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S/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-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide?
2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.34, 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-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 71787723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).