N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide

C11H17ClN2O2S — CID 106862330

IUPACN-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCc1ccc(CNCCNS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-9-3-4-10(11(12)7-9)8-13-5-6-14-17(2,15)16/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyQEIBEOIKVSRMRE-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.29
Rot. Bonds6

About N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide

N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 106862330) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide
PubChem CID106862330
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCc1ccc(CNCCNS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-9-3-4-10(11(12)7-9)8-13-5-6-14-17(2,15)16/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyQEIBEOIKVSRMRE-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
N'-[(2-chloro-4-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 106861235
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
4-[(2-chloro-4-methylphenyl)methylamino]butanamide
CID 106862371
N-[(2-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106862000
4-[(2-chloro-4-methylphenyl)methylamino]butan-2-ol
CID 106862742
N-[2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 63627447
N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 80709456
N-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 78999059

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide (CID 106862330) is N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide is Cc1ccc(CNCCNS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is QEIBEOIKVSRMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-9-3-4-10(11(12)7-9)8-13-5-6-14-17(2,15)16/h3-4,7,13-14H,5-6,8H2,1-2H3.
What are the key properties of N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 106862330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).