2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide

C22H27ClN2O3S — CID 78888779

IUPAC2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(C)CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C1CC1
InChIInChI=1S/C22H27ClN2O3S/c1-16(2)13-14-25(18-9-10-18)22(26)20-15-19(11-12-21(20)23)29(27,28)24(3)17-7-5-4-6-8-17/h4-8,11-12,15-16,18H,9-10,13-14H2,1-3H3
InChIKeyFUKZZUFEZCKIJH-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.82
Rot. Bonds8

About 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 78888779) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID78888779
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC(C)CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C1CC1
InChIInChI=1S/C22H27ClN2O3S/c1-16(2)13-14-25(18-9-10-18)22(26)20-15-19(11-12-21(20)23)29(27,28)24(3)17-7-5-4-6-8-17/h4-8,11-12,15-16,18H,9-10,13-14H2,1-3H3
InChIKeyFUKZZUFEZCKIJH-UHFFFAOYSA-N
XLogP4.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55774441
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
2-chloro-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60951203
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577290
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
4-chloro-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2334711
2-chloro-N-cyclopropyl-5-(dimethylsulfamoyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 55593568
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide (CID 78888779) is 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide is CC(C)CCN(C(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is FUKZZUFEZCKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-16(2)13-14-25(18-9-10-18)22(26)20-15-19(11-12-21(20)23)29(27,28)24(3)17-7-5-4-6-8-17/h4-8,11-12,15-16,18H,9-10,13-14H2,1-3H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 434.99 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 78888779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).