1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide

C15H18ClNO4S — CID 90605152

IUPAC1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C15H18ClNO4S/c1-15(18,9-14-6-3-7-21-14)11-17-22(19,20)10-12-4-2-5-13(16)8-12/h2-8,17-18H,9-11H2,1H3
InChIKeyUQNSEGNPXJBPON-UHFFFAOYSA-N
MW343.83 g/mol
LogP2.35
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide

1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide (PubChem CID 90605152) has the molecular formula C15H18ClNO4S and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
PubChem CID90605152
Molecular FormulaC15H18ClNO4S
Molecular Weight343.83 g/mol
Exact Mass343.06
IUPAC Name1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide
SMILESCC(O)(CNS(=O)(=O)Cc1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C15H18ClNO4S/c1-15(18,9-14-6-3-7-21-14)11-17-22(19,20)10-12-4-2-5-13(16)8-12/h2-8,17-18H,9-11H2,1H3
InChIKeyUQNSEGNPXJBPON-UHFFFAOYSA-N
XLogP2.35
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenylethanesulfonamide
CID 99872680
1-(3-chlorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 90498317
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 90605178
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
1-(3-chlorophenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 163350083
1-(3-chlorophenyl)-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)methanesulfonamide
CID 90535524
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide (CID 90605152) is 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide is CC(O)(CNS(=O)(=O)Cc1cccc(Cl)c1)Cc1ccco1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide?
The InChIKey is UQNSEGNPXJBPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4S/c1-15(18,9-14-6-3-7-21-14)11-17-22(19,20)10-12-4-2-5-13(16)8-12/h2-8,17-18H,9-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide has a molecular weight of 343.83 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 90605152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).