N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide

C20H22BrClN2O3S — CID 1002076

IUPACN-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C20H22BrClN2O3S/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)
InChIKeyUOLRZDWCTXFBJR-UHFFFAOYSA-N
MW485.83 g/mol
LogP5.06
Rot. Bonds6

About N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide

N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide (PubChem CID 1002076) has the molecular formula C20H22BrClN2O3S and a molecular weight of 485.83 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
PubChem CID1002076
Molecular FormulaC20H22BrClN2O3S
Molecular Weight485.83 g/mol
Exact Mass484.02
IUPAC NameN-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C20H22BrClN2O3S/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)
InChIKeyUOLRZDWCTXFBJR-UHFFFAOYSA-N
XLogP5.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.83
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1321078
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 1232002
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
CID 1002059
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide (CID 1002076) is N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
The InChIKey is UOLRZDWCTXFBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O3S/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-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide?
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide has a molecular weight of 485.83 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide is sourced from PubChem (CID 1002076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).