2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride

C14H11BrFNO3S — CID 116814224

IUPAC2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
SMILESCc1cc(Br)cc(C(=O)Nc2ccccc2S(=O)(=O)F)c1
InChIInChI=1S/C14H11BrFNO3S/c1-9-6-10(8-11(15)7-9)14(18)17-12-4-2-3-5-13(12)21(16,19)20/h2-8H,1H3,(H,17,18)
InChIKeyQCQJYJBXMQTCDA-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.67
Rot. Bonds3

About 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride

2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride (PubChem CID 116814224) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
PubChem CID116814224
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC Name2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride
SMILESCc1cc(Br)cc(C(=O)Nc2ccccc2S(=O)(=O)F)c1
InChIInChI=1S/C14H11BrFNO3S/c1-9-6-10(8-11(15)7-9)14(18)17-12-4-2-3-5-13(12)21(16,19)20/h2-8H,1H3,(H,17,18)
InChIKeyQCQJYJBXMQTCDA-UHFFFAOYSA-N
XLogP3.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 104851756
2-[(5-bromo-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814013
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116813960
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814035
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
3-bromo-5-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 104851985

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride (CID 116814224) is 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride is Cc1cc(Br)cc(C(=O)Nc2ccccc2S(=O)(=O)F)c1.
What is the InChIKey of 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride?
The InChIKey is QCQJYJBXMQTCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c1-9-6-10(8-11(15)7-9)14(18)17-12-4-2-3-5-13(12)21(16,19)20/h2-8H,1H3,(H,17,18).
What are the key properties of 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride?
2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride has a molecular weight of 372.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methylbenzoyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).