N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide

C14H19ClN2O3S — CID 71980428

IUPACN-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide
SMILESC=CCCCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3S/c1-4-5-6-9-17(3)21(19,20)12-7-8-14(13(15)10-12)16-11(2)18/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,16,18)
InChIKeyWLJYQRWTSPFTBN-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.89
Rot. Bonds7

About N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide

N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide (PubChem CID 71980428) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide
PubChem CID71980428
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide
SMILESC=CCCCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3S/c1-4-5-6-9-17(3)21(19,20)12-7-8-14(13(15)10-12)16-11(2)18/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,16,18)
InChIKeyWLJYQRWTSPFTBN-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide 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

2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654967
2-bromo-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654962
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3504516
2-chloro-3-fluoro-5-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654996
N-[2-chloro-4-[2-methoxyethyl(propyl)sulfamoyl]phenyl]acetamide
CID 3684242
(2R)-N-[2-chloro-4-[methyl(propyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 20610350
2-chloro-4-[methyl-[3-(methylamino)propyl]sulfamoyl]benzoic acid
CID 107090182
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
methyl 4-amino-2-[methyl(pent-4-enyl)sulfamoyl]benzoate
CID 102931695
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide (CID 71980428) is N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide is C=CCCCN(C)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide?
The InChIKey is WLJYQRWTSPFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-4-5-6-9-17(3)21(19,20)12-7-8-14(13(15)10-12)16-11(2)18/h4,7-8,10H,1,5-6,9H2,2-3H3,(H,16,18).
What are the key properties of N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide?
N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide has a molecular weight of 330.84 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[methyl(pent-4-enyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 71980428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).