4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide

C22H33ClN2O3S — CID 5323384

IUPAC4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H33ClN2O3S/c23-19-12-14-21(15-13-19)29(27,28)24-16-17-8-10-18(11-9-17)22(26)25-20-6-4-2-1-3-5-7-20/h12-15,17-18,20,24H,1-11,16H2,(H,25,26)
InChIKeyYVJDGPKLRAOCCE-UHFFFAOYSA-N
MW441.04 g/mol
LogP4.65
Rot. Bonds6

About 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide

4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide (PubChem CID 5323384) has the molecular formula C22H33ClN2O3S and a molecular weight of 441.04 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
PubChem CID5323384
Molecular FormulaC22H33ClN2O3S
Molecular Weight441.04 g/mol
Exact Mass440.19
IUPAC Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H33ClN2O3S/c23-19-12-14-21(15-13-19)29(27,28)24-16-17-8-10-18(11-9-17)22(26)25-20-6-4-2-1-3-5-7-20/h12-15,17-18,20,24H,1-11,16H2,(H,25,26)
InChIKeyYVJDGPKLRAOCCE-UHFFFAOYSA-N
XLogP4.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.04
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
N-cyclopentyl-4-[[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20901002
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 97263064
4-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007398
N'-(4-chlorophenyl)sulfonylcyclohexanecarbohydrazide
CID 695770
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 3886490
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide (CID 5323384) is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide is O=C(NC1CCCCCCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide?
The InChIKey is YVJDGPKLRAOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O3S/c23-19-12-14-21(15-13-19)29(27,28)24-16-17-8-10-18(11-9-17)22(26)25-20-6-4-2-1-3-5-7-20/h12-15,17-18,20,24H,1-11,16H2,(H,25,26).
What are the key properties of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide?
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide has a molecular weight of 441.04 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide is sourced from PubChem (CID 5323384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).