N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide

C18H29NO4S — CID 90498901

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)C2CCCCC2)cc1C
InChIInChI=1S/C18H29NO4S/c1-3-11-23-18-10-9-16(12-14(18)2)24(21,22)19-13-17(20)15-7-5-4-6-8-15/h9-10,12,15,17,19-20H,3-8,11,13H2,1-2H3
InChIKeyQUJHFPCKSAMPMP-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.00
Rot. Bonds8

About N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide

N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide (PubChem CID 90498901) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
PubChem CID90498901
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)C2CCCCC2)cc1C
InChIInChI=1S/C18H29NO4S/c1-3-11-23-18-10-9-16(12-14(18)2)24(21,22)19-13-17(20)15-7-5-4-6-8-15/h9-10,12,15,17,19-20H,3-8,11,13H2,1-2H3
InChIKeyQUJHFPCKSAMPMP-UHFFFAOYSA-N
XLogP3.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
3-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887576
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 121179187
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
CID 63298619
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
3-chloro-N-(2-cyclopentyl-2-hydroxyethyl)benzenesulfonamide
CID 75469633
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide (CID 90498901) is N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC(O)C2CCCCC2)cc1C.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
The InChIKey is QUJHFPCKSAMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-3-11-23-18-10-9-16(12-14(18)2)24(21,22)19-13-17(20)15-7-5-4-6-8-15/h9-10,12,15,17,19-20H,3-8,11,13H2,1-2H3.
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide?
N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide has a molecular weight of 355.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 90498901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).