N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide

C12H14ClN5O2S — CID 61414521

IUPACN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H14ClN5O2S/c1-18(8-9-2-4-10(13)5-3-9)21(19,20)11-6-15-12(17-14)16-7-11/h2-7H,8,14H2,1H3,(H,15,16,17)
InChIKeyHERLAMMAHHFLGP-UHFFFAOYSA-N
MW327.80 g/mol
LogP1.24
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide

N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide (PubChem CID 61414521) has the molecular formula C12H14ClN5O2S and a molecular weight of 327.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
PubChem CID61414521
Molecular FormulaC12H14ClN5O2S
Molecular Weight327.80 g/mol
Exact Mass327.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H14ClN5O2S/c1-18(8-9-2-4-10(13)5-3-9)21(19,20)11-6-15-12(17-14)16-7-11/h2-7H,8,14H2,1H3,(H,15,16,17)
InChIKeyHERLAMMAHHFLGP-UHFFFAOYSA-N
XLogP1.24
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62150452
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61415653
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
6-chloro-N-[(4-ethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 31391306
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
CID 61443170
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
N-[(4-chlorophenyl)methyl]-N-methyl-3-(methylamino)pyridine-2-sulfonamide
CID 103305595
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide (CID 61414521) is N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide is CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
The InChIKey is HERLAMMAHHFLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2S/c1-18(8-9-2-4-10(13)5-3-9)21(19,20)11-6-15-12(17-14)16-7-11/h2-7H,8,14H2,1H3,(H,15,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide has a molecular weight of 327.80 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61414521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).