N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide

C16H16BrNO3S — CID 41148003

IUPACN-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO3S/c1-11(2)22(20,21)15-8-3-5-12(9-15)16(19)18-14-7-4-6-13(17)10-14/h3-11H,1-2H3,(H,18,19)
InChIKeyBJAYVFNGAKSRIR-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.88
Rot. Bonds4

About N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide

N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide (PubChem CID 41148003) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide
PubChem CID41148003
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC NameN-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H16BrNO3S/c1-11(2)22(20,21)15-8-3-5-12(9-15)16(19)18-14-7-4-6-13(17)10-14/h3-11H,1-2H3,(H,18,19)
InChIKeyBJAYVFNGAKSRIR-UHFFFAOYSA-N
XLogP3.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(1-benzothiophen-5-yl)-3-propan-2-ylsulfonylbenzamide
CID 18587145
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
3-bromo-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227338
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-[4-[(3-bromobenzoyl)amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 46542213
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide (CID 41148003) is N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide?
The InChIKey is BJAYVFNGAKSRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-11(2)22(20,21)15-8-3-5-12(9-15)16(19)18-14-7-4-6-13(17)10-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide?
N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide has a molecular weight of 382.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 41148003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).