N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide

C11H14ClNO3S — CID 59878668

IUPACN-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(CC(=O)CCl)cc1NS(C)(=O)=O
InChIInChI=1S/C11H14ClNO3S/c1-8-3-4-9(5-10(14)7-12)6-11(8)13-17(2,15)16/h3-4,6,13H,5,7H2,1-2H3
InChIKeyGJMHPIWCCMWROO-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.72
Rot. Bonds5

About N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide

N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide (PubChem CID 59878668) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide
PubChem CID59878668
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC NameN-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(CC(=O)CCl)cc1NS(C)(=O)=O
InChIInChI=1S/C11H14ClNO3S/c1-8-3-4-9(5-10(14)7-12)6-11(8)13-17(2,15)16/h3-4,6,13H,5,7H2,1-2H3
InChIKeyGJMHPIWCCMWROO-UHFFFAOYSA-N
XLogP1.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-methylphenyl)-3-chloropropan-2-one
CID 118838029
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
1-chloro-3-(4-methyl-3-sulfanylphenyl)propan-2-one
CID 131010200
methyl 4-(3-chloro-2-oxopropyl)-2-methylbenzoate
CID 134635123
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
ethyl 4-(3-chloro-2-oxopropyl)-2-methylbenzoate
CID 134614553
ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
CID 114461371
(E)-3-[4-(3-chloro-2-oxopropyl)-2-methylphenyl]prop-2-enoic acid
CID 134627537
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide
CID 88577306

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide (CID 59878668) is N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide is Cc1ccc(CC(=O)CCl)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide?
The InChIKey is GJMHPIWCCMWROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-8-3-4-9(5-10(14)7-12)6-11(8)13-17(2,15)16/h3-4,6,13H,5,7H2,1-2H3.
What are the key properties of N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide?
N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide has a molecular weight of 275.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 59878668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).