3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide

C22H27ClN2O4S — CID 46601321

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C22H27ClN2O4S/c1-15-7-10-18(11-8-15)25(2)22(26)16-5-4-6-19(13-16)30(27,28)24-20-14-17(23)9-12-21(20)29-3/h4-6,9,12-15,18,24H,7-8,10-11H2,1-3H3
InChIKeyIXKYILAUCMKEAP-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.80
Rot. Bonds6

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 46601321) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
PubChem CID46601321
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C22H27ClN2O4S/c1-15-7-10-18(11-8-15)25(2)22(26)16-5-4-6-19(13-16)30(27,28)24-20-14-17(23)9-12-21(20)29-3/h4-6,9,12-15,18,24H,7-8,10-11H2,1-3H3
InChIKeyIXKYILAUCMKEAP-UHFFFAOYSA-N
XLogP4.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 56523456
N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 26011766
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 39584336
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 31737106
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43044408
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
N-(5-chloro-2-methoxyphenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 26094766
ethyl 1-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
CID 26591578
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide (CID 46601321) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C2CCC(C)CC2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is IXKYILAUCMKEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-15-7-10-18(11-8-15)25(2)22(26)16-5-4-6-19(13-16)30(27,28)24-20-14-17(23)9-12-21(20)29-3/h4-6,9,12-15,18,24H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 450.99 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 46601321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).