3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide

C22H27ClN2O3S — CID 17178988

IUPAC3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-25(19-8-3-2-4-9-19)29(27,28)20-14-12-18(13-15-20)24-22(26)16-11-17-7-5-6-10-21(17)23/h5-7,10,12-15,19H,2-4,8-9,11,16H2,1H3,(H,24,26)
InChIKeyXBDYGODXBHGXSZ-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.86
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide

3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide (PubChem CID 17178988) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
PubChem CID17178988
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-25(19-8-3-2-4-9-19)29(27,28)20-14-12-18(13-15-20)24-22(26)16-11-17-7-5-6-10-21(17)23/h5-7,10,12-15,19H,2-4,8-9,11,16H2,1H3,(H,24,26)
InChIKeyXBDYGODXBHGXSZ-UHFFFAOYSA-N
XLogP4.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924223
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924171
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26707676
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 124808882
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799751

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide (CID 17178988) is 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide?
The InChIKey is XBDYGODXBHGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-25(19-8-3-2-4-9-19)29(27,28)20-14-12-18(13-15-20)24-22(26)16-11-17-7-5-6-10-21(17)23/h5-7,10,12-15,19H,2-4,8-9,11,16H2,1H3,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide?
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide has a molecular weight of 434.99 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 17178988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).