3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C14H12BrN3O2S — CID 165048628

IUPAC3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESC=C1Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2N1
InChIInChI=1S/C14H12BrN3O2S/c1-9-16-13-6-5-11(8-14(13)17-9)18-21(19,20)12-4-2-3-10(15)7-12/h2-8,16-18H,1H2
InChIKeyPJZCYTGIYNWKCQ-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.56
Rot. Bonds3

About 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 165048628) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID165048628
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESC=C1Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2N1
InChIInChI=1S/C14H12BrN3O2S/c1-9-16-13-6-5-11(8-14(13)17-9)18-21(19,20)12-4-2-3-10(15)7-12/h2-8,16-18H,1H2
InChIKeyPJZCYTGIYNWKCQ-UHFFFAOYSA-N
XLogP3.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
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CID 26966432
3-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 16615708
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 165048628) is 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is C=C1Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2N1.
What is the InChIKey of 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is PJZCYTGIYNWKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-16-13-6-5-11(8-14(13)17-9)18-21(19,20)12-4-2-3-10(15)7-12/h2-8,16-18H,1H2.
What are the key properties of 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 165048628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).