N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide

C21H20BrN3O5S2 — CID 19062512

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H20BrN3O5S2/c1-14-3-4-15(13-20(14)25-31(2,27)28)21(26)23-17-9-11-19(12-10-17)32(29,30)24-18-7-5-16(22)6-8-18/h3-13,24-25H,1-2H3,(H,23,26)
InChIKeyQCCLGUUDDMVATM-UHFFFAOYSA-N
MW538.45 g/mol
LogP4.18
Rot. Bonds7

About N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 19062512) has the molecular formula C21H20BrN3O5S2 and a molecular weight of 538.45 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID19062512
Molecular FormulaC21H20BrN3O5S2
Molecular Weight538.45 g/mol
Exact Mass537.00
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H20BrN3O5S2/c1-14-3-4-15(13-20(14)25-31(2,27)28)21(26)23-17-9-11-19(12-10-17)32(29,30)24-18-7-5-16(22)6-8-18/h3-13,24-25H,1-2H3,(H,23,26)
InChIKeyQCCLGUUDDMVATM-UHFFFAOYSA-N
XLogP4.18
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.45
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 19062512) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is QCCLGUUDDMVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O5S2/c1-14-3-4-15(13-20(14)25-31(2,27)28)21(26)23-17-9-11-19(12-10-17)32(29,30)24-18-7-5-16(22)6-8-18/h3-13,24-25H,1-2H3,(H,23,26).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 538.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 19062512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).