[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium

C18H23ClN3O3S+ — CID 7870484

IUPAC[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH+](C)C)ccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-4-22(15-8-6-5-7-9-15)26(24,25)17-12-14(10-11-16(17)19)20-18(23)13-21(2)3/h5-12H,4,13H2,1-3H3,(H,20,23)/p+1
InChIKeyIBIJPNWYQCWOJE-UHFFFAOYSA-O
MW396.92 g/mol
LogP1.64
Rot. Bonds7

About [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium

[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium (PubChem CID 7870484) has the molecular formula C18H23ClN3O3S+ and a molecular weight of 396.92 g/mol. Its IUPAC name is [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
PubChem CID7870484
Molecular FormulaC18H23ClN3O3S+
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Name[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH+](C)C)ccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-4-22(15-8-6-5-7-9-15)26(24,25)17-12-14(10-11-16(17)19)20-18(23)13-21(2)3/h5-12H,4,13H2,1-3H3,(H,20,23)/p+1
InChIKeyIBIJPNWYQCWOJE-UHFFFAOYSA-O
XLogP1.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium 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

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34058902
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 55327646
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584101
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 112816128
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 26578423

Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium (CID 7870484) is [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH+](C)C)ccc1Cl.
What is the InChIKey of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium?
The InChIKey is IBIJPNWYQCWOJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22ClN3O3S/c1-4-22(15-8-6-5-7-9-15)26(24,25)17-12-14(10-11-16(17)19)20-18(23)13-21(2)3/h5-12H,4,13H2,1-3H3,(H,20,23)/p+1.
What are the key properties of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium?
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium has a molecular weight of 396.92 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 7870484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).