N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide

C22H27ClN2O4S — CID 43020416

IUPACN-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H27ClN2O4S/c1-2-12-25(16-17-7-4-3-5-8-17)22(26)18-10-11-20(23)21(14-18)30(27,28)24-15-19-9-6-13-29-19/h3-5,7-8,10-11,14,19,24H,2,6,9,12-13,15-16H2,1H3
InChIKeyKOIUZFSKZJNOSN-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.85
Rot. Bonds9

About N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide

N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide (PubChem CID 43020416) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide
PubChem CID43020416
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC NameN-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H27ClN2O4S/c1-2-12-25(16-17-7-4-3-5-8-17)22(26)18-10-11-20(23)21(14-18)30(27,28)24-15-19-9-6-13-29-19/h3-5,7-8,10-11,14,19,24H,2,6,9,12-13,15-16H2,1H3
InChIKeyKOIUZFSKZJNOSN-UHFFFAOYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
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-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide?
The IUPAC name of N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide (CID 43020416) is N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide?
The InChIKey is KOIUZFSKZJNOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-2-12-25(16-17-7-4-3-5-8-17)22(26)18-10-11-20(23)21(14-18)30(27,28)24-15-19-9-6-13-29-19/h3-5,7-8,10-11,14,19,24H,2,6,9,12-13,15-16H2,1H3.
What are the key properties of N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide?
N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide has a molecular weight of 450.99 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide is sourced from PubChem (CID 43020416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).