3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide

C15H22ClNO5S — CID 99996993

IUPAC3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1Cl
InChIInChI=1S/C15H22ClNO5S/c1-21-15-3-2-12(10-13(15)16)23(19,20)17-7-4-14(18)11-5-8-22-9-6-11/h2-3,10-11,14,17-18H,4-9H2,1H3/t14-/m1/s1
InChIKeyNXZCXRQUMQDTKV-CQSZACIVSA-N
MW363.86 g/mol
LogP1.80
Rot. Bonds7

About 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide

3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide (PubChem CID 99996993) has the molecular formula C15H22ClNO5S and a molecular weight of 363.86 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
PubChem CID99996993
Molecular FormulaC15H22ClNO5S
Molecular Weight363.86 g/mol
Exact Mass363.09
IUPAC Name3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1Cl
InChIInChI=1S/C15H22ClNO5S/c1-21-15-3-2-12(10-13(15)16)23(19,20)17-7-4-14(18)11-5-8-22-9-6-11/h2-3,10-11,14,17-18H,4-9H2,1H3/t14-/m1/s1
InChIKeyNXZCXRQUMQDTKV-CQSZACIVSA-N
XLogP1.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 86266685
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
CID 99997051
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722675
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-chloro-N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-methoxybenzenesulfonamide
CID 122160833
N-[3-hydroxy-3-(oxan-4-yl)propyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 86266682
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide (CID 99996993) is 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide?
The InChIKey is NXZCXRQUMQDTKV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22ClNO5S/c1-21-15-3-2-12(10-13(15)16)23(19,20)17-7-4-14(18)11-5-8-22-9-6-11/h2-3,10-11,14,17-18H,4-9H2,1H3/t14-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide has a molecular weight of 363.86 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 99996993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).