4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide

C25H36ClN3O5S — CID 71525692

IUPAC4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCCC)c1cc(C(=O)NCCO)cc(S(=O)(=O)N(C)C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C25H36ClN3O5S/c1-5-7-14-29(15-8-6-2)22-17-19(25(31)27-13-16-30)18-23(35(32,33)28(3)4)24(22)34-21-11-9-20(26)10-12-21/h9-12,17-18,30H,5-8,13-16H2,1-4H3,(H,27,31)
InChIKeyOKMKLKQPBUYWNQ-UHFFFAOYSA-N
MW526.10 g/mol
LogP4.51
Rot. Bonds14

About 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide

4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide (PubChem CID 71525692) has the molecular formula C25H36ClN3O5S and a molecular weight of 526.10 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide
PubChem CID71525692
Molecular FormulaC25H36ClN3O5S
Molecular Weight526.10 g/mol
Exact Mass525.21
IUPAC Name4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCCC)c1cc(C(=O)NCCO)cc(S(=O)(=O)N(C)C)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C25H36ClN3O5S/c1-5-7-14-29(15-8-6-2)22-17-19(25(31)27-13-16-30)18-23(35(32,33)28(3)4)24(22)34-21-11-9-20(26)10-12-21/h9-12,17-18,30H,5-8,13-16H2,1-4H3,(H,27,31)
InChIKeyOKMKLKQPBUYWNQ-UHFFFAOYSA-N
XLogP4.51
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.10
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dibutylamino)-5-(dipropylsulfamoyl)-4-phenoxybenzoic acid
CID 58033514
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-2-ylethyl)-5-sulfamoylbenzamide
CID 129252570
3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide
CID 123481443
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 90988080
N-(cycloheptylmethyl)-3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzamide
CID 58033638
3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
CID 58033530
3-(dibutylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
CID 58033539
N-butyl-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 35709594
3-(dibutylamino)-5-(ethylsulfamoyl)-4-phenoxybenzoic acid
CID 58033368
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
3-(dibutylamino)-4-phenoxy-N-(piperidin-3-ylmethyl)-5-sulfamoylbenzamide
CID 91049156
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide (CID 71525692) is 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide is CCCCN(CCCC)c1cc(C(=O)NCCO)cc(S(=O)(=O)N(C)C)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide?
The InChIKey is OKMKLKQPBUYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN3O5S/c1-5-7-14-29(15-8-6-2)22-17-19(25(31)27-13-16-30)18-23(35(32,33)28(3)4)24(22)34-21-11-9-20(26)10-12-21/h9-12,17-18,30H,5-8,13-16H2,1-4H3,(H,27,31).
What are the key properties of 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide?
4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide has a molecular weight of 526.10 g/mol, XLogP of 4.51, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 71525692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).