2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

C15H16BrN3O3S — CID 46809714

IUPAC2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN3O3S/c16-12-3-5-13(6-4-12)18-10-15(20)19-9-11-1-7-14(8-2-11)23(17,21)22/h1-8,18H,9-10H2,(H,19,20)(H2,17,21,22)
InChIKeyRBXABKBBGBVXSD-UHFFFAOYSA-N
MW398.28 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 46809714) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID46809714
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC Name2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN3O3S/c16-12-3-5-13(6-4-12)18-10-15(20)19-9-11-1-7-14(8-2-11)23(17,21)22/h1-8,18H,9-10H2,(H,19,20)(H2,17,21,22)
InChIKeyRBXABKBBGBVXSD-UHFFFAOYSA-N
XLogP1.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 46809714) is 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is RBXABKBBGBVXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c16-12-3-5-13(6-4-12)18-10-15(20)19-9-11-1-7-14(8-2-11)23(17,21)22/h1-8,18H,9-10H2,(H,19,20)(H2,17,21,22).
What are the key properties of 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 398.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 46809714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).