N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide

C21H32FNO2S — CID 16723589

IUPACN-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide
SMILESC=CCCCCCCCCCN(CC(=C)F)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H32FNO2S/c1-4-5-6-7-8-9-10-11-12-17-23(18-20(3)22)26(24,25)21-15-13-19(2)14-16-21/h4,13-16H,1,3,5-12,17-18H2,2H3
InChIKeyDULWHRJJCZJFGT-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.78
Rot. Bonds14

About N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide

N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide (PubChem CID 16723589) has the molecular formula C21H32FNO2S and a molecular weight of 381.56 g/mol. Its IUPAC name is N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide
PubChem CID16723589
Molecular FormulaC21H32FNO2S
Molecular Weight381.56 g/mol
Exact Mass381.21
IUPAC NameN-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide
SMILESC=CCCCCCCCCCN(CC(=C)F)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H32FNO2S/c1-4-5-6-7-8-9-10-11-12-17-23(18-20(3)22)26(24,25)21-15-13-19(2)14-16-21/h4,13-16H,1,3,5-12,17-18H2,2H3
InChIKeyDULWHRJJCZJFGT-UHFFFAOYSA-N
XLogP5.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide 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-but-2-ynyl-N-hex-5-enyl-4-methylbenzenesulfonamide
CID 101013408
2,2,2-trichloro-N-(4-methylphenyl)sulfonyl-N-oct-7-enylacetamide
CID 10741129
2-[but-3-enyl-(4-methylphenyl)sulfonylamino]acetyl chloride
CID 102026014
CID 89316653
CID 89316653
N,N-bis(7-bromoheptyl)-4-methylbenzenesulfonamide
CID 10673655
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
ethyl 2-[(4-nitrophenyl)sulfonyl-pent-4-enylamino]acetate
CID 11111061

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide?
The IUPAC name of N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide (CID 16723589) is N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide is C=CCCCCCCCCCN(CC(=C)F)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide?
The InChIKey is DULWHRJJCZJFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO2S/c1-4-5-6-7-8-9-10-11-12-17-23(18-20(3)22)26(24,25)21-15-13-19(2)14-16-21/h4,13-16H,1,3,5-12,17-18H2,2H3.
What are the key properties of N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide?
N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide has a molecular weight of 381.56 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroprop-2-enyl)-4-methyl-N-undec-10-enylbenzenesulfonamide is sourced from PubChem (CID 16723589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).