N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide

C22H31ClN2O3S — CID 43011536

IUPACN-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31ClN2O3S/c1-4-20(22-11-14-7-15(12-22)9-16(8-14)13-22)24-21(26)18-10-17(5-6-19(18)23)29(27,28)25(2)3/h5-6,10,14-16,20H,4,7-9,11-13H2,1-3H3,(H,24,26)
InChIKeyBRDHUYVEPNKAPZ-UHFFFAOYSA-N
MW439.02 g/mol
LogP4.32
Rot. Bonds6

About N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide

N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide (PubChem CID 43011536) has the molecular formula C22H31ClN2O3S and a molecular weight of 439.02 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide
PubChem CID43011536
Molecular FormulaC22H31ClN2O3S
Molecular Weight439.02 g/mol
Exact Mass438.17
IUPAC NameN-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31ClN2O3S/c1-4-20(22-11-14-7-15(12-22)9-16(8-14)13-22)24-21(26)18-10-17(5-6-19(18)23)29(27,28)25(2)3/h5-6,10,14-16,20H,4,7-9,11-13H2,1-3H3,(H,24,26)
InChIKeyBRDHUYVEPNKAPZ-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.02
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-adamantyl)propyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 51923318
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-[1-(1-adamantyl)propyl]-3-methoxynaphthalene-2-carboxamide
CID 3935964
N-[1-(1-adamantyl)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 19585483
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
CID 25393397
4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26895477
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide
CID 8839657

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide (CID 43011536) is N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide is CCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide?
The InChIKey is BRDHUYVEPNKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O3S/c1-4-20(22-11-14-7-15(12-22)9-16(8-14)13-22)24-21(26)18-10-17(5-6-19(18)23)29(27,28)25(2)3/h5-6,10,14-16,20H,4,7-9,11-13H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide?
N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide has a molecular weight of 439.02 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-2-chloro-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 43011536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).