3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

C15H18ClN5O3S — CID 30132724

IUPAC3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN5O3S/c1-10-8-11(2)19-15(18-10)21-20-14(22)6-7-17-25(23,24)13-5-3-4-12(16)9-13/h3-5,8-9,17H,6-7H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyZVNATUUTLKDGPI-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.56
Rot. Bonds7

About 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 30132724) has the molecular formula C15H18ClN5O3S and a molecular weight of 383.86 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID30132724
Molecular FormulaC15H18ClN5O3S
Molecular Weight383.86 g/mol
Exact Mass383.08
IUPAC Name3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H18ClN5O3S/c1-10-8-11(2)19-15(18-10)21-20-14(22)6-7-17-25(23,24)13-5-3-4-12(16)9-13/h3-5,8-9,17H,6-7H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyZVNATUUTLKDGPI-UHFFFAOYSA-N
XLogP1.56
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 56504283
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075572
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
CID 55834250
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3,4-dimethyl-N-[3-oxo-3-[2-(2,4,6-trichlorophenyl)hydrazinyl]propyl]benzenesulfonamide
CID 2415637
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55975541

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 30132724) is 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is ZVNATUUTLKDGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O3S/c1-10-8-11(2)19-15(18-10)21-20-14(22)6-7-17-25(23,24)13-5-3-4-12(16)9-13/h3-5,8-9,17H,6-7H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 383.86 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 30132724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).