1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide

C15H22ClNO4S — CID 95142044

IUPAC1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
SMILESCCN(C[C@@H]1CCOC1)S(=O)(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClNO4S/c1-3-17(9-12-6-7-21-10-12)22(18,19)11-13-8-14(16)4-5-15(13)20-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyHVYPUKILMOTTDW-LBPRGKRZSA-N
MW347.86 g/mol
LogP2.54
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide

1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide (PubChem CID 95142044) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
PubChem CID95142044
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide
SMILESCCN(C[C@@H]1CCOC1)S(=O)(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClNO4S/c1-3-17(9-12-6-7-21-10-12)22(18,19)11-13-8-14(16)4-5-15(13)20-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3/t12-/m0/s1
InChIKeyHVYPUKILMOTTDW-LBPRGKRZSA-N
XLogP2.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905709
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
1-(2-chlorophenyl)-N-(oxolan-3-ylmethyl)-N-propylmethanesulfonamide
CID 91915414
1-(2-fluorophenyl)-N-[[(3R)-oxolan-3-yl]methyl]-N-propylmethanesulfonamide
CID 99767674
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
3-chloro-N-cyclopropyl-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697634
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
3-amino-N-ethyl-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343328
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
N-cyclopropyl-3-fluoro-4-methoxy-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697628
2,5-dibromo-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47350790
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide (CID 95142044) is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide is CCN(C[C@@H]1CCOC1)S(=O)(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide?
The InChIKey is HVYPUKILMOTTDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-3-17(9-12-6-7-21-10-12)22(18,19)11-13-8-14(16)4-5-15(13)20-2/h4-5,8,12H,3,6-7,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide?
1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide has a molecular weight of 347.86 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95142044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).