3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide

C17H19BrN2O5S — CID 1356047

IUPAC3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C17H19BrN2O5S/c18-14-4-6-15(7-5-14)19-17(23)13-2-1-3-16(12-13)26(24,25)20(8-10-21)9-11-22/h1-7,12,21-22H,8-11H2,(H,19,23)
InChIKeyBTKGTCKUKOFOJK-UHFFFAOYSA-N
MW443.32 g/mol
LogP1.68
Rot. Bonds8

About 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide

3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide (PubChem CID 1356047) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide
PubChem CID1356047
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC Name3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N(CCO)CCO)c1
InChIInChI=1S/C17H19BrN2O5S/c18-14-4-6-15(7-5-14)19-17(23)13-2-1-3-16(12-13)26(24,25)20(8-10-21)9-11-22/h1-7,12,21-22H,8-11H2,(H,19,23)
InChIKeyBTKGTCKUKOFOJK-UHFFFAOYSA-N
XLogP1.68
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
CID 4121831
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
3-(diethylsulfamoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540186
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
2-[[3-[butyl(2-hydroxyethyl)sulfamoyl]benzoyl]amino]-5-ethylbenzoic acid
CID 142866144
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide (CID 1356047) is 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide is O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)N(CCO)CCO)c1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide?
The InChIKey is BTKGTCKUKOFOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c18-14-4-6-15(7-5-14)19-17(23)13-2-1-3-16(12-13)26(24,25)20(8-10-21)9-11-22/h1-7,12,21-22H,8-11H2,(H,19,23).
What are the key properties of 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide?
3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide has a molecular weight of 443.32 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide is sourced from PubChem (CID 1356047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).