bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide

C10H13BrN2O2S — CID 123614271

IUPACbromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
SMILESC=CBr.C=NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C8H10N2O2S.C2H3Br/c1-7-3-5-8(6-4-7)13(11,12)10-9-2;1-2-3/h3-6,10H,2H2,1H3;2H,1H2
InChIKeyXHRSFHCTDHYEFS-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.41
Rot. Bonds3

About bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide

bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide (PubChem CID 123614271) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide.

Molecular Properties

Compound Namebromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
PubChem CID123614271
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Namebromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
SMILESC=CBr.C=NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C8H10N2O2S.C2H3Br/c1-7-3-5-8(6-4-7)13(11,12)10-9-2;1-2-3/h3-6,10H,2H2,1H3;2H,1H2
InChIKeyXHRSFHCTDHYEFS-UHFFFAOYSA-N
XLogP2.41
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(methylideneamino)ethyl]benzenesulfonamide
CID 3448478
4-methylbenzenesulfonohydrazide
CID 15303
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
N-(4-methylphenyl)sulfonyl-2-oxoethanehydrazonoyl chloride
CID 57088982
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
N-(2-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516

Frequently Asked Questions

What is the IUPAC name of bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide?
The IUPAC name of bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide (CID 123614271) is bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide.
What is the SMILES notation for bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide?
The canonical SMILES for bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide is C=CBr.C=NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide?
The InChIKey is XHRSFHCTDHYEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S.C2H3Br/c1-7-3-5-8(6-4-7)13(11,12)10-9-2;1-2-3/h3-6,10H,2H2,1H3;2H,1H2.
What are the key properties of bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide?
bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide has a molecular weight of 305.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide is sourced from PubChem (CID 123614271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).