N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide

C14H21NO4S — CID 61455432

IUPACN-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO4S/c1-11(16)12-4-3-5-14(10-12)20(17,18)15(8-9-19-2)13-6-7-13/h3-5,10-11,13,16H,6-9H2,1-2H3
InChIKeyFLTKRMSCZWLGIT-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.54
Rot. Bonds7

About N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide

N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61455432) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61455432
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO4S/c1-11(16)12-4-3-5-14(10-12)20(17,18)15(8-9-19-2)13-6-7-13/h3-5,10-11,13,16H,6-9H2,1-2H3
InChIKeyFLTKRMSCZWLGIT-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54995323
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
N,N-diethyl-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507253
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
5-[cyclopropyl(2-methoxyethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 63288473
3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428330
N-ethyl-3-(1-hydroxyethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879696
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 61455432) is N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is FLTKRMSCZWLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(16)12-4-3-5-14(10-12)20(17,18)15(8-9-19-2)13-6-7-13/h3-5,10-11,13,16H,6-9H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide?
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61455432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).