N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide

C15H14BrNO4S — CID 110425977

IUPACN-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(C)(=O)=O
InChIInChI=1S/C15H14BrNO4S/c1-21-13-7-6-10(8-14(13)22(2,19)20)15(18)17-12-5-3-4-11(16)9-12/h3-9H,1-2H3,(H,17,18)
InChIKeyUMRHFNMSYDPPFW-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.11
Rot. Bonds4

About N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide

N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide (PubChem CID 110425977) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
PubChem CID110425977
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC NameN-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(C)(=O)=O
InChIInChI=1S/C15H14BrNO4S/c1-21-13-7-6-10(8-14(13)22(2,19)20)15(18)17-12-5-3-4-11(16)9-12/h3-9H,1-2H3,(H,17,18)
InChIKeyUMRHFNMSYDPPFW-UHFFFAOYSA-N
XLogP3.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
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4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
CID 30285125
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
3-(tert-butylsulfamoyl)-N-(3-fluorophenyl)-4-methoxybenzamide
CID 26579178
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
3-(tert-butylsulfamoyl)-N-(3-chlorophenyl)-4-methoxybenzamide
CID 26578598

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide (CID 110425977) is N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide is COc1ccc(C(=O)Nc2cccc(Br)c2)cc1S(C)(=O)=O.
What is the InChIKey of N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide?
The InChIKey is UMRHFNMSYDPPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-21-13-7-6-10(8-14(13)22(2,19)20)15(18)17-12-5-3-4-11(16)9-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide?
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide has a molecular weight of 384.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide is sourced from PubChem (CID 110425977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).