3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

C21H27BrN2O4S — CID 55970006

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C21H27BrN2O4S/c1-4-19(5-2)24(13-14-28-3)21(25)16-7-6-8-20(15-16)29(26,27)23-18-11-9-17(22)10-12-18/h6-12,15,19,23H,4-5,13-14H2,1-3H3
InChIKeyRMGYUGVDECVXIK-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.53
Rot. Bonds10

About 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide

3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (PubChem CID 55970006) has the molecular formula C21H27BrN2O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
PubChem CID55970006
Molecular FormulaC21H27BrN2O4S
Molecular Weight483.43 g/mol
Exact Mass482.09
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C21H27BrN2O4S/c1-4-19(5-2)24(13-14-28-3)21(25)16-7-6-8-20(15-16)29(26,27)23-18-11-9-17(22)10-12-18/h6-12,15,19,23H,4-5,13-14H2,1-3H3
InChIKeyRMGYUGVDECVXIK-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
CID 60555353
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)benzamide
CID 43007132
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
3-[(4-bromophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 17479896
3-[(4-bromophenyl)sulfamoyl]-N-phenylmethoxybenzamide
CID 51476076

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide (CID 55970006) is 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
The InChIKey is RMGYUGVDECVXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O4S/c1-4-19(5-2)24(13-14-28-3)21(25)16-7-6-8-20(15-16)29(26,27)23-18-11-9-17(22)10-12-18/h6-12,15,19,23H,4-5,13-14H2,1-3H3.
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide has a molecular weight of 483.43 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 55970006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).