5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide

C25H21Br2N3O3S — CID 10282258

IUPAC5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)cc3C(=O)Nc3ccc(Br)cc3)cccc12
InChIInChI=1S/C25H21Br2N3O3S/c1-30(2)23-7-3-6-20-19(23)5-4-8-24(20)34(32,33)29-22-14-11-17(27)15-21(22)25(31)28-18-12-9-16(26)10-13-18/h3-15,29H,1-2H3,(H,28,31)
InChIKeyOQPOOSLBKVTIDZ-UHFFFAOYSA-N
MW603.34 g/mol
LogP6.48
Rot. Bonds6

About 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide

5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide (PubChem CID 10282258) has the molecular formula C25H21Br2N3O3S and a molecular weight of 603.34 g/mol. Its IUPAC name is 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
PubChem CID10282258
Molecular FormulaC25H21Br2N3O3S
Molecular Weight603.34 g/mol
Exact Mass600.97
IUPAC Name5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)cc3C(=O)Nc3ccc(Br)cc3)cccc12
InChIInChI=1S/C25H21Br2N3O3S/c1-30(2)23-7-3-6-20-19(23)5-4-8-24(20)34(32,33)29-22-14-11-17(27)15-21(22)25(31)28-18-12-9-16(26)10-13-18/h3-15,29H,1-2H3,(H,28,31)
InChIKeyOQPOOSLBKVTIDZ-UHFFFAOYSA-N
XLogP6.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.34
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
CID 122149480
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide
CID 174449375
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 59900335
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
N-(5-bromo-3-methyl-2-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645779
2-[3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691274

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
The IUPAC name of 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide (CID 10282258) is 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide.
What is the SMILES notation for 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
The canonical SMILES for 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Br)cc3C(=O)Nc3ccc(Br)cc3)cccc12.
What is the InChIKey of 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
The InChIKey is OQPOOSLBKVTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Br2N3O3S/c1-30(2)23-7-3-6-20-19(23)5-4-8-24(20)34(32,33)29-22-14-11-17(27)15-21(22)25(31)28-18-12-9-16(26)10-13-18/h3-15,29H,1-2H3,(H,28,31).
What are the key properties of 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide?
5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide has a molecular weight of 603.34 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide is sourced from PubChem (CID 10282258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).