2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide

C14H13BrN2O3S — CID 1099916

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
SMILESNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13BrN2O3S/c15-11-6-8-12(9-7-11)17(10-14(16)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,18)
InChIKeyLYXWHHSVULFQRF-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.13
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide

2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide (PubChem CID 1099916) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
PubChem CID1099916
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
SMILESNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13BrN2O3S/c15-11-6-8-12(9-7-11)17(10-14(16)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,18)
InChIKeyLYXWHHSVULFQRF-UHFFFAOYSA-N
XLogP2.13
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
CID 30169579
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide (CID 1099916) is 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide is NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide?
The InChIKey is LYXWHHSVULFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c15-11-6-8-12(9-7-11)17(10-14(16)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10H2,(H2,16,18).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide has a molecular weight of 369.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide is sourced from PubChem (CID 1099916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).