3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

C15H22ClNO3S — CID 71633153

IUPAC3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCOCC1Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3S/c1-11(2)17-21(18,19)15-6-7-20-10-13(15)8-12-4-3-5-14(16)9-12/h3-5,9,11,13,15,17H,6-8,10H2,1-2H3
InChIKeyJQAUFWMGQUVRJE-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.62
Rot. Bonds5

About 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (PubChem CID 71633153) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
PubChem CID71633153
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCOCC1Cc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3S/c1-11(2)17-21(18,19)15-6-7-20-10-13(15)8-12-4-3-5-14(16)9-12/h3-5,9,11,13,15,17H,6-8,10H2,1-2H3
InChIKeyJQAUFWMGQUVRJE-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175139
(3R,4S)-3-[(3-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169042
(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175144
(3S,4S)-3-[(4-cyanophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175159
(3R,4S)-3-[(4-cyanophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175161
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175198
(3R,4R)-3-[(3-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167889
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993
N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 71648912
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (CID 71633153) is 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is CC(C)NS(=O)(=O)C1CCOCC1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is JQAUFWMGQUVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-11(2)17-21(18,19)15-6-7-20-10-13(15)8-12-4-3-5-14(16)9-12/h3-5,9,11,13,15,17H,6-8,10H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 71633153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).