N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide

C21H27BrN2O3S — CID 30099721

IUPACN-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H27BrN2O3S/c1-5-23(6-2)28(26,27)18-12-13-20(22)19(14-18)21(25)24(16(3)4)15-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3
InChIKeyUNXJFUHNEPTWMQ-UHFFFAOYSA-N
MW467.43 g/mol
LogP4.53
Rot. Bonds8

About N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide

N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide (PubChem CID 30099721) has the molecular formula C21H27BrN2O3S and a molecular weight of 467.43 g/mol. Its IUPAC name is N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
PubChem CID30099721
Molecular FormulaC21H27BrN2O3S
Molecular Weight467.43 g/mol
Exact Mass466.09
IUPAC NameN-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H27BrN2O3S/c1-5-23(6-2)28(26,27)18-12-13-20(22)19(14-18)21(25)24(16(3)4)15-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3
InChIKeyUNXJFUHNEPTWMQ-UHFFFAOYSA-N
XLogP4.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide (CID 30099721) is N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide?
The InChIKey is UNXJFUHNEPTWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3S/c1-5-23(6-2)28(26,27)18-12-13-20(22)19(14-18)21(25)24(16(3)4)15-17-10-8-7-9-11-17/h7-14,16H,5-6,15H2,1-4H3.
What are the key properties of N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide?
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide has a molecular weight of 467.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 30099721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).