N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

C20H16ClNO3S2 — CID 139582978

IUPACN-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)C1CC1c1cccs1
InChIInChI=1S/C20H16ClNO3S2/c21-13-3-7-15(8-4-13)27(24,25)16-9-5-14(6-10-16)22-20(23)18-12-17(18)19-2-1-11-26-19/h1-11,17-18H,12H2,(H,22,23)
InChIKeyBYQZYKLEZWISAV-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.98
Rot. Bonds5

About N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 139582978) has the molecular formula C20H16ClNO3S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID139582978
Molecular FormulaC20H16ClNO3S2
Molecular Weight417.94 g/mol
Exact Mass417.03
IUPAC NameN-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)C1CC1c1cccs1
InChIInChI=1S/C20H16ClNO3S2/c21-13-3-7-15(8-4-13)27(24,25)16-9-5-14(6-10-16)22-20(23)18-12-17(18)19-2-1-11-26-19/h1-11,17-18H,12H2,(H,22,23)
InChIKeyBYQZYKLEZWISAV-UHFFFAOYSA-N
XLogP4.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681350
N-(3-cyanophenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681378
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
1-(4-chlorophenyl)-3-[[(3R,4R)-1-methyl-4-thiophen-2-ylpyrrolidin-3-yl]methyl]urea
CID 100829022
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
N-[4-[(2-chlorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 171778271
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 139582978) is N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)C1CC1c1cccs1.
What is the InChIKey of N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is BYQZYKLEZWISAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S2/c21-13-3-7-15(8-4-13)27(24,25)16-9-5-14(6-10-16)22-20(23)18-12-17(18)19-2-1-11-26-19/h1-11,17-18H,12H2,(H,22,23).
What are the key properties of N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)sulfonylphenyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 139582978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).