N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide

C15H15BrN2O4S — CID 108575028

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Br)cc1)c1cccc(O)c1
InChIInChI=1S/C15H15BrN2O4S/c16-12-4-6-14(7-5-12)23(21,22)18-9-8-17-15(20)11-2-1-3-13(19)10-11/h1-7,10,18-19H,8-9H2,(H,17,20)
InChIKeyCNCQJQPWRKUORH-UHFFFAOYSA-N
MW399.27 g/mol
LogP1.86
Rot. Bonds6

About N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide (PubChem CID 108575028) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
PubChem CID108575028
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc(Br)cc1)c1cccc(O)c1
InChIInChI=1S/C15H15BrN2O4S/c16-12-4-6-14(7-5-12)23(21,22)18-9-8-17-15(20)11-2-1-3-13(19)10-11/h1-7,10,18-19H,8-9H2,(H,17,20)
InChIKeyCNCQJQPWRKUORH-UHFFFAOYSA-N
XLogP1.86
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
CID 108575021
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
CID 108574692
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
N-[2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 33326222

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide (CID 108575028) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide is O=C(NCCNS(=O)(=O)c1ccc(Br)cc1)c1cccc(O)c1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
The InChIKey is CNCQJQPWRKUORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c16-12-4-6-14(7-5-12)23(21,22)18-9-8-17-15(20)11-2-1-3-13(19)10-11/h1-7,10,18-19H,8-9H2,(H,17,20).
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide has a molecular weight of 399.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 108575028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).