(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

C15H21Cl2NO3S — CID 97175139

IUPAC(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2NO3S/c1-10(2)18-22(19,20)15-6-7-21-9-11(15)8-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3/t11-,15-/m0/s1
InChIKeyUCZXJQQMYYVLDZ-NHYWBVRUSA-N
MW366.31 g/mol
LogP3.27
Rot. Bonds5

About (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (PubChem CID 97175139) has the molecular formula C15H21Cl2NO3S and a molecular weight of 366.31 g/mol. Its IUPAC name is (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
PubChem CID97175139
Molecular FormulaC15H21Cl2NO3S
Molecular Weight366.31 g/mol
Exact Mass365.06
IUPAC Name(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H21Cl2NO3S/c1-10(2)18-22(19,20)15-6-7-21-9-11(15)8-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3/t11-,15-/m0/s1
InChIKeyUCZXJQQMYYVLDZ-NHYWBVRUSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-[(2-chloro-6-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175144
(3R,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177635
3-[(3-chlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 71633153
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
CID 97175198
(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
4-chloro-3-[(2,6-dichlorophenyl)methyl]oxane
CID 106471526
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993
3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
CID 71649235
(3R,4R)-3-[(2,4-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177666

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (CID 97175139) is (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is CC(C)NS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1c(Cl)cccc1Cl.
What is the InChIKey of (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is UCZXJQQMYYVLDZ-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H21Cl2NO3S/c1-10(2)18-22(19,20)15-6-7-21-9-11(15)8-12-13(16)4-3-5-14(12)17/h3-5,10-11,15,18H,6-9H2,1-2H3/t11-,15-/m0/s1.
What are the key properties of (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 366.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 97175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).