1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide

C19H18ClFN2O3S — CID 50822271

IUPAC1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1
InChIInChI=1S/C19H18ClFN2O3S/c1-2-11-22-18(24)19(9-10-19)13-3-5-14(6-4-13)23-27(25,26)15-7-8-17(21)16(20)12-15/h2-8,12,23H,1,9-11H2,(H,22,24)
InChIKeyITPLEFAFMHSZIM-UHFFFAOYSA-N
MW408.88 g/mol
LogP3.61
Rot. Bonds7

About 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide

1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 50822271) has the molecular formula C19H18ClFN2O3S and a molecular weight of 408.88 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID50822271
Molecular FormulaC19H18ClFN2O3S
Molecular Weight408.88 g/mol
Exact Mass408.07
IUPAC Name1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1
InChIInChI=1S/C19H18ClFN2O3S/c1-2-11-22-18(24)19(9-10-19)13-3-5-14(6-4-13)23-27(25,26)15-7-8-17(21)16(20)12-15/h2-8,12,23H,1,9-11H2,(H,22,24)
InChIKeyITPLEFAFMHSZIM-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822332
N-prop-2-enyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 50822133
N-butyl-1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822427
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062380
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880224
1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822174
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062136
1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822134
N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378255
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822330
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 20971650
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclobutane-1-carboxamide
CID 50827173

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide (CID 50822271) is 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1.
What is the InChIKey of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is ITPLEFAFMHSZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3S/c1-2-11-22-18(24)19(9-10-19)13-3-5-14(6-4-13)23-27(25,26)15-7-8-17(21)16(20)12-15/h2-8,12,23H,1,9-11H2,(H,22,24).
What are the key properties of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 408.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 50822271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).