4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide

C19H23ClN2O4S — CID 76583533

IUPAC4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)COc2cc(Cl)ccc2C(N)=O)c(C)c1
InChIInChI=1S/C19H23ClN2O4S/c1-11-7-12(2)18(13(3)8-11)27(24,25)22-14(4)10-26-17-9-15(20)5-6-16(17)19(21)23/h5-9,14,22H,10H2,1-4H3,(H2,21,23)
InChIKeyAJJFWRKYRXOUBA-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.11
Rot. Bonds7

About 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide

4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide (PubChem CID 76583533) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide.

Molecular Properties

Compound Name4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide
PubChem CID76583533
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)COc2cc(Cl)ccc2C(N)=O)c(C)c1
InChIInChI=1S/C19H23ClN2O4S/c1-11-7-12(2)18(13(3)8-11)27(24,25)22-14(4)10-26-17-9-15(20)5-6-16(17)19(21)23/h5-9,14,22H,10H2,1-4H3,(H2,21,23)
InChIKeyAJJFWRKYRXOUBA-UHFFFAOYSA-N
XLogP3.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethoxybenzamide
CID 126998915
4-chloro-2-[2-(propan-2-ylamino)ethoxy]benzamide
CID 63083330
[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl] 2,4,6-trimethylbenzenesulfonate
CID 86629199
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
N-[3-(4-chloro-2-cyanophenoxy)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25167956
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890197
4-chloro-2-methoxybenzamide
CID 19741766
methyl (2S)-4-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanoate
CID 7371416

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide?
The IUPAC name of 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide (CID 76583533) is 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide.
What is the SMILES notation for 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide?
The canonical SMILES for 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide is Cc1cc(C)c(S(=O)(=O)NC(C)COc2cc(Cl)ccc2C(N)=O)c(C)c1.
What is the InChIKey of 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide?
The InChIKey is AJJFWRKYRXOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-11-7-12(2)18(13(3)8-11)27(24,25)22-14(4)10-26-17-9-15(20)5-6-16(17)19(21)23/h5-9,14,22H,10H2,1-4H3,(H2,21,23).
What are the key properties of 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide?
4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide has a molecular weight of 410.92 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-[(2,4,6-trimethylphenyl)sulfonylamino]propoxy]benzamide is sourced from PubChem (CID 76583533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).