N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide

C14H21ClN2O3S — CID 43246745

IUPACN-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-3-5-6-10(4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyHVZNECSFOPTTNI-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.14
Rot. Bonds7

About N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide

N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide (PubChem CID 43246745) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
PubChem CID43246745
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-3-5-6-10(4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyHVZNECSFOPTTNI-UHFFFAOYSA-N
XLogP3.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide 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-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558
4-(2-ethylhexanoylamino)-3-fluorobenzenesulfonyl chloride
CID 43125503
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
N-(6-chloro-2-methyl-3-pyridinyl)-2-ethylhexanamide
CID 107301300
N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
CID 43548371
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
CID 7299565
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide?
The IUPAC name of N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide (CID 43246745) is N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide.
What is the SMILES notation for N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide?
The canonical SMILES for N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide?
The InChIKey is HVZNECSFOPTTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-5-6-10(4-2)14(18)17-13-8-7-11(9-12(13)15)21(16,19)20/h7-10H,3-6H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide?
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide has a molecular weight of 332.85 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide is sourced from PubChem (CID 43246745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).