4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide

C20H22ClFN2O4S — CID 30857214

IUPAC4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCCCCOc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C20H22ClFN2O4S/c1-2-11-24-29(26,27)19-14-15(5-10-18(19)21)20(25)23-12-3-4-13-28-17-8-6-16(22)7-9-17/h2,5-10,14,24H,1,3-4,11-13H2,(H,23,25)
InChIKeyDSHIKRAWTFYHSW-UHFFFAOYSA-N
MW440.92 g/mol
LogP3.53
Rot. Bonds11

About 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide

4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 30857214) has the molecular formula C20H22ClFN2O4S and a molecular weight of 440.92 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID30857214
Molecular FormulaC20H22ClFN2O4S
Molecular Weight440.92 g/mol
Exact Mass440.10
IUPAC Name4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCCCCOc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C20H22ClFN2O4S/c1-2-11-24-29(26,27)19-14-15(5-10-18(19)21)20(25)23-12-3-4-13-28-17-8-6-16(22)7-9-17/h2,5-10,14,24H,1,3-4,11-13H2,(H,23,25)
InChIKeyDSHIKRAWTFYHSW-UHFFFAOYSA-N
XLogP3.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
CID 9441812
4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9416108
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26635661
N-[4-(4-fluorophenoxy)butyl]-4-(methanesulfonamido)benzamide
CID 42123150
2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331974
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-ethoxypropyl)benzamide
CID 24540698
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide
CID 26635699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide (CID 30857214) is 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)NCCCCOc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is DSHIKRAWTFYHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4S/c1-2-11-24-29(26,27)19-14-15(5-10-18(19)21)20(25)23-12-3-4-13-28-17-8-6-16(22)7-9-17/h2,5-10,14,24H,1,3-4,11-13H2,(H,23,25).
What are the key properties of 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide?
4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 440.92 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 30857214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).