4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C20H23ClN2O4S — CID 9342591

IUPAC4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c(C)c1
InChIInChI=1S/C20H23ClN2O4S/c1-13-5-8-18(14(2)10-13)23-20(24)15-6-7-17(21)19(11-15)28(25,26)22-12-16-4-3-9-27-16/h5-8,10-11,16,22H,3-4,9,12H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyNYWYQDUNSXZWFN-INIZCTEOSA-N
MW422.93 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 9342591) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID9342591
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c(C)c1
InChIInChI=1S/C20H23ClN2O4S/c1-13-5-8-18(14(2)10-13)23-20(24)15-6-7-17(21)19(11-15)28(25,26)22-12-16-4-3-9-27-16/h5-8,10-11,16,22H,3-4,9,12H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyNYWYQDUNSXZWFN-INIZCTEOSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 4780486
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55349787
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55983444
4-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55541273
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 9342591) is 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)c(C)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is NYWYQDUNSXZWFN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-13-5-8-18(14(2)10-13)23-20(24)15-6-7-17(21)19(11-15)28(25,26)22-12-16-4-3-9-27-16/h5-8,10-11,16,22H,3-4,9,12H2,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 422.93 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 9342591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).