N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide

C20H22ClFN2O3S — CID 987644

IUPACN-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN2O3S/c21-15-5-4-6-17(13-15)23-20(25)14-24(18-7-2-1-3-8-18)28(26,27)19-11-9-16(22)10-12-19/h4-6,9-13,18H,1-3,7-8,14H2,(H,23,25)
InChIKeyKLFLTWPICSTFII-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.44
Rot. Bonds6

About N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide

N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide (PubChem CID 987644) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
PubChem CID987644
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC NameN-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN2O3S/c21-15-5-4-6-17(13-15)23-20(25)14-24(18-7-2-1-3-8-18)28(26,27)19-11-9-16(22)10-12-19/h4-6,9-13,18H,1-3,7-8,14H2,(H,23,25)
InChIKeyKLFLTWPICSTFII-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1331347
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967182

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide (CID 987644) is N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is KLFLTWPICSTFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c21-15-5-4-6-17(13-15)23-20(25)14-24(18-7-2-1-3-8-18)28(26,27)19-11-9-16(22)10-12-19/h4-6,9-13,18H,1-3,7-8,14H2,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide?
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 424.93 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 987644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).