N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide

C15H18N4O3S — CID 119065865

IUPACN-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nn1
InChIInChI=1S/C15H18N4O3S/c1-11-6-7-14(19-18-11)12-4-3-5-13(10-12)15(20)16-8-9-17-23(2,21)22/h3-7,10,17H,8-9H2,1-2H3,(H,16,20)
InChIKeyRLMIZVONMCLESY-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.73
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide

N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide (PubChem CID 119065865) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide
PubChem CID119065865
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nn1
InChIInChI=1S/C15H18N4O3S/c1-11-6-7-14(19-18-11)12-4-3-5-13(10-12)15(20)16-8-9-17-23(2,21)22/h3-7,10,17H,8-9H2,1-2H3,(H,16,20)
InChIKeyRLMIZVONMCLESY-UHFFFAOYSA-N
XLogP0.73
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-carbamothioyl-N-[2-(methanesulfonamido)ethyl]benzamide
CID 43546221
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
CID 122566280
N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
CID 122562480
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-ethyl-4-[[3-(6-methylpyridazin-3-yl)benzoyl]amino]piperidine-1-carboxamide
CID 119071436
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
3-amino-4-bromo-N-[2-(methanesulfonamido)ethyl]benzamide
CID 61094438
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide (CID 119065865) is N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nn1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is RLMIZVONMCLESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-6-7-14(19-18-11)12-4-3-5-13(10-12)15(20)16-8-9-17-23(2,21)22/h3-7,10,17H,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide?
N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 334.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 119065865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).