4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide

C18H29NO5S — CID 97246564

IUPAC4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide
SMILESCOC[C@@H](O)CN(C)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C18H29NO5S/c1-19(12-16(20)14-23-2)25(21,22)18-10-8-17(9-11-18)24-13-15-6-4-3-5-7-15/h8-11,15-16,20H,3-7,12-14H2,1-2H3/t16-/m0/s1
InChIKeyDOHLSMXZNWYLIW-INIZCTEOSA-N
MW371.50 g/mol
LogP2.27
Rot. Bonds9

About 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide

4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide (PubChem CID 97246564) has the molecular formula C18H29NO5S and a molecular weight of 371.50 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide
PubChem CID97246564
Molecular FormulaC18H29NO5S
Molecular Weight371.50 g/mol
Exact Mass371.18
IUPAC Name4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide
SMILESCOC[C@@H](O)CN(C)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C18H29NO5S/c1-19(12-16(20)14-23-2)25(21,22)18-10-8-17(9-11-18)24-13-15-6-4-3-5-7-15/h8-11,15-16,20H,3-7,12-14H2,1-2H3/t16-/m0/s1
InChIKeyDOHLSMXZNWYLIW-INIZCTEOSA-N
XLogP2.27
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-Hydroxy-3-(4-methylphenyl)tellanylpropoxy]benzenesulfonamide
CID 155511036
4-[2-Hydroxy-3-(2-methylphenyl)tellanylpropoxy]benzenesulfonamide
CID 155512108
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzenesulfonamide
CID 2812345
1-(4-Methylpiperazin-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 3452081
4-[2-hydroxy-3-(methylamino)propoxy]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 145951255
4-[2-hydroxy-3-(methylamino)propoxy]-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 145956070
N-benzyl-4-[2-hydroxy-3-(methylamino)propoxy]benzenesulfonamide;hydrochloride
CID 145956073
4-[2-hydroxy-3-(methylamino)propoxy]-N-(3-methylbutan-2-yl)benzenesulfonamide;hydrochloride
CID 145956819
N-tert-butyl-4-[2-hydroxy-3-(methylamino)propoxy]benzenesulfonamide;hydrochloride
CID 145956976
4-[2-Hydroxy-3-(methylamino)propoxy]benzenesulfonamide;hydrochloride
CID 145958632
4-[2-hydroxy-3-(methylamino)propoxy]-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 145959974
4-{4-[Bis(2-hydroxyethyl)sulfamoyl]phenoxy}-N,N-bis(2-hydroxyethyl)benzene-1-sulfonamide
CID 3876359

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide (CID 97246564) is 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide is COC[C@@H](O)CN(C)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide?
The InChIKey is DOHLSMXZNWYLIW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29NO5S/c1-19(12-16(20)14-23-2)25(21,22)18-10-8-17(9-11-18)24-13-15-6-4-3-5-7-15/h8-11,15-16,20H,3-7,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide?
4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 97246564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).