4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

C17H20Cl2N4O4S — CID 52516203

IUPAC4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCn1c(Cl)cnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C17H20Cl2N4O4S/c1-23-15(19)9-20-16(23)10-21-17(24)11-4-5-13(18)14(7-11)28(25,26)22-8-12-3-2-6-27-12/h4-5,7,9,12,22H,2-3,6,8,10H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyRMIRUBCAXQTXTH-GFCCVEGCSA-N
MW447.34 g/mol
LogP2.11
Rot. Bonds7

About 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 52516203) has the molecular formula C17H20Cl2N4O4S and a molecular weight of 447.34 g/mol. Its IUPAC name is 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID52516203
Molecular FormulaC17H20Cl2N4O4S
Molecular Weight447.34 g/mol
Exact Mass446.06
IUPAC Name4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCn1c(Cl)cnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C17H20Cl2N4O4S/c1-23-15(19)9-20-16(23)10-21-17(24)11-4-5-13(18)14(7-11)28(25,26)22-8-12-3-2-6-27-12/h4-5,7,9,12,22H,2-3,6,8,10H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeyRMIRUBCAXQTXTH-GFCCVEGCSA-N
XLogP2.11
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
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CID 46514472
4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588157
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134045733
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55734171
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
4-chloro-N-[3-(3-methylphenoxy)propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42923752

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 52516203) is 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is Cn1c(Cl)cnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is RMIRUBCAXQTXTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20Cl2N4O4S/c1-23-15(19)9-20-16(23)10-21-17(24)11-4-5-13(18)14(7-11)28(25,26)22-8-12-3-2-6-27-12/h4-5,7,9,12,22H,2-3,6,8,10H2,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 447.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 52516203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).