N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride

C14H22ClN3O3S — CID 139672928

IUPACN-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride
SMILESCCN1C=C[NH+](CC(O)c2ccc(NS(C)(=O)=O)cc2)C1.[Cl-]
InChIInChI=1S/C14H21N3O3S.ClH/c1-3-16-8-9-17(11-16)10-14(18)12-4-6-13(7-5-12)15-21(2,19)20;/h4-9,14-15,18H,3,10-11H2,1-2H3;1H
InChIKeyNSBWJXJUDQYLJB-UHFFFAOYSA-N
MW347.87 g/mol
LogP-3.26
Rot. Bonds6

About N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride

N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride (PubChem CID 139672928) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride.

Molecular Properties

Compound NameN-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride
PubChem CID139672928
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC NameN-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride
SMILESCCN1C=C[NH+](CC(O)c2ccc(NS(C)(=O)=O)cc2)C1.[Cl-]
InChIInChI=1S/C14H21N3O3S.ClH/c1-3-16-8-9-17(11-16)10-14(18)12-4-6-13(7-5-12)15-21(2,19)20;/h4-9,14-15,18H,3,10-11H2,1-2H3;1H
InChIKeyNSBWJXJUDQYLJB-UHFFFAOYSA-N
XLogP-3.26
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 5-3.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
CID 10685624
N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
CID 3082653
N-[4-(1-hydroxy-2-propan-2-ylarsanylethyl)phenyl]methanesulfonamide
CID 173166355
N-[4-(2-azido-1-hydroxyethyl)phenyl]methanesulfonamide
CID 90989606
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70410687
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891458
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide bromide
CID 70410686
2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide
CID 59156745
N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide
CID 70412164
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
CID 24377
N-[4-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride?
The IUPAC name of N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride (CID 139672928) is N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride.
What is the SMILES notation for N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride?
The canonical SMILES for N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride is CCN1C=C[NH+](CC(O)c2ccc(NS(C)(=O)=O)cc2)C1.[Cl-].
What is the InChIKey of N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride?
The InChIKey is NSBWJXJUDQYLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-3-16-8-9-17(11-16)10-14(18)12-4-6-13(7-5-12)15-21(2,19)20;/h4-9,14-15,18H,3,10-11H2,1-2H3;1H.
What are the key properties of N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride?
N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride has a molecular weight of 347.87 g/mol, XLogP of -3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethyl-1,2-dihydroimidazol-1-ium-1-yl)-1-hydroxyethyl]phenyl]methanesulfonamide chloride is sourced from PubChem (CID 139672928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).