3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide

C16H17BrN2O3S — CID 24629318

IUPAC3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H17BrN2O3S/c1-11-7-8-13(17)10-15(11)23(21,22)18-14-6-4-5-12(9-14)16(20)19(2)3/h4-10,18H,1-3H3
InChIKeyJBCIFQRTZRFDKL-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.26
Rot. Bonds4

About 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide

3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 24629318) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID24629318
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H17BrN2O3S/c1-11-7-8-13(17)10-15(11)23(21,22)18-14-6-4-5-12(9-14)16(20)19(2)3/h4-10,18H,1-3H3
InChIKeyJBCIFQRTZRFDKL-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
3-[(2-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629332
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoate
CID 7720276
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 24629318) is 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is JBCIFQRTZRFDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-11-7-8-13(17)10-15(11)23(21,22)18-14-6-4-5-12(9-14)16(20)19(2)3/h4-10,18H,1-3H3.
What are the key properties of 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 397.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 24629318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).