N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide

C14H13BrN2O3S — CID 17459459

IUPACN-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-16-21(19,20)13-7-5-10(6-8-13)14(18)17-12-4-2-3-11(15)9-12/h2-9,16H,1H3,(H,17,18)
InChIKeyLQEISWOMWQCPST-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.61
Rot. Bonds4

About N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide

N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide (PubChem CID 17459459) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
PubChem CID17459459
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-16-21(19,20)13-7-5-10(6-8-13)14(18)17-12-4-2-3-11(15)9-12/h2-9,16H,1H3,(H,17,18)
InChIKeyLQEISWOMWQCPST-UHFFFAOYSA-N
XLogP2.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide (CID 17459459) is N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide?
The InChIKey is LQEISWOMWQCPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-16-21(19,20)13-7-5-10(6-8-13)14(18)17-12-4-2-3-11(15)9-12/h2-9,16H,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide?
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide has a molecular weight of 369.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 17459459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).