N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide

C10H15ClN2O2S — CID 89245904

IUPACN-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
SMILESCc1cc(C(C)NCl)ccc1NS(C)(=O)=O
InChIInChI=1S/C10H15ClN2O2S/c1-7-6-9(8(2)12-11)4-5-10(7)13-16(3,14)15/h4-6,8,12-13H,1-3H3
InChIKeyDLPCWRMWWBGIIY-UHFFFAOYSA-N
MW262.76 g/mol
LogP2.17
Rot. Bonds4

About N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide

N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide (PubChem CID 89245904) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
PubChem CID89245904
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC NameN-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
SMILESCc1cc(C(C)NCl)ccc1NS(C)(=O)=O
InChIInChI=1S/C10H15ClN2O2S/c1-7-6-9(8(2)12-11)4-5-10(7)13-16(3,14)15/h4-6,8,12-13H,1-3H3
InChIKeyDLPCWRMWWBGIIY-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dichloro-2-methylphenyl)methanesulfonamide
CID 22894122
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 102976919
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
6-cyclopropyl-N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25010416
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide
CID 25010577
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
2-(4-tert-butyl-3-chlorophenoxy)-N-[1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]acetamide
CID 21097437
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methylphenyl]methanesulfonamide
CID 43741247
N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
CID 165395183

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide (CID 89245904) is N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide is Cc1cc(C(C)NCl)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is DLPCWRMWWBGIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-7-6-9(8(2)12-11)4-5-10(7)13-16(3,14)15/h4-6,8,12-13H,1-3H3.
What are the key properties of N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide?
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 89245904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).