(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide

C15H20ClNO3S — CID 97166602

IUPAC(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
SMILESO=S(=O)(NC1CC1)[C@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3S/c16-13-3-1-11(2-4-13)9-12-10-20-8-7-15(12)21(18,19)17-14-5-6-14/h1-4,12,14-15,17H,5-10H2/t12-,15-/m0/s1
InChIKeyOXZNFDQYWKRGCL-WFASDCNBSA-N
MW329.85 g/mol
LogP2.37
Rot. Bonds5

About (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide

(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide (PubChem CID 97166602) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
PubChem CID97166602
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
SMILESO=S(=O)(NC1CC1)[C@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3S/c16-13-3-1-11(2-4-13)9-12-10-20-8-7-15(12)21(18,19)17-14-5-6-14/h1-4,12,14-15,17H,5-10H2/t12-,15-/m0/s1
InChIKeyOXZNFDQYWKRGCL-WFASDCNBSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
CID 97166599
(3S,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98087195
(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169032
N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 71648912
(3S,4S)-3-[(4-chlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166760
(3R,4S)-3-[(3,4-dichlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97167993
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168004
3-[(4-bromophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 71648171
(3R,4S)-N-ethyl-3-[(4-methylphenyl)methyl]oxane-4-sulfonamide
CID 97177651
(3R,4S)-3-[(3-chlorophenyl)methyl]-N-methyloxane-4-sulfonamide
CID 97168013
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide?
The IUPAC name of (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide (CID 97166602) is (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide.
What is the SMILES notation for (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide?
The canonical SMILES for (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide is O=S(=O)(NC1CC1)[C@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide?
The InChIKey is OXZNFDQYWKRGCL-WFASDCNBSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-13-3-1-11(2-4-13)9-12-10-20-8-7-15(12)21(18,19)17-14-5-6-14/h1-4,12,14-15,17H,5-10H2/t12-,15-/m0/s1.
What are the key properties of (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide?
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide is sourced from PubChem (CID 97166602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).