2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

C21H19BrN2O3S — CID 2333846

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c22-17-10-12-18(13-11-17)28(26,27)24-20-9-5-4-8-19(20)21(25)23-15-14-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyMFFLBXHFZNPSEC-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.22
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 2333846) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID2333846
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c22-17-10-12-18(13-11-17)28(26,27)24-20-9-5-4-8-19(20)21(25)23-15-14-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,23,25)
InChIKeyMFFLBXHFZNPSEC-UHFFFAOYSA-N
XLogP4.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 2347642
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336942
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 126123469
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 100735863
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 2333846) is 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is MFFLBXHFZNPSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c22-17-10-12-18(13-11-17)28(26,27)24-20-9-5-4-8-19(20)21(25)23-15-14-16-6-2-1-3-7-16/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 459.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 2333846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).