N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide

C14H12BrClN2O3S — CID 8500457

IUPACN'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
SMILESCc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C14H12BrClN2O3S/c1-9-8-12(6-7-13(9)15)22(20,21)18-17-14(19)10-2-4-11(16)5-3-10/h2-8,18H,1H3,(H,17,19)
InChIKeyYDMJBANUJWECGC-UHFFFAOYSA-N
MW403.69 g/mol
LogP3.03
Rot. Bonds4

About N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide

N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide (PubChem CID 8500457) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
PubChem CID8500457
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC NameN'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
SMILESCc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C14H12BrClN2O3S/c1-9-8-12(6-7-13(9)15)22(20,21)18-17-14(19)10-2-4-11(16)5-3-10/h2-8,18H,1H3,(H,17,19)
InChIKeyYDMJBANUJWECGC-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504967
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337
ethyl N-[(4-bromo-3-methylphenyl)sulfonylamino]carbamate
CID 2697001
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
N'-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4730103
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide (CID 8500457) is N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide is Cc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide?
The InChIKey is YDMJBANUJWECGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c1-9-8-12(6-7-13(9)15)22(20,21)18-17-14(19)10-2-4-11(16)5-3-10/h2-8,18H,1H3,(H,17,19).
What are the key properties of N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide?
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide has a molecular weight of 403.69 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide is sourced from PubChem (CID 8500457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).