1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide

C10H14ClNO2S — CID 63665593

IUPAC1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CCl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-8-3-5-10(6-4-8)9(2)12-15(13,14)7-11/h3-6,9,12H,7H2,1-2H3
InChIKeyHNIODBKZFJTOAP-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.17
Rot. Bonds4

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

1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide (PubChem CID 63665593) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
PubChem CID63665593
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CCl)cc1
InChIInChI=1S/C10H14ClNO2S/c1-8-3-5-10(6-4-8)9(2)12-15(13,14)7-11/h3-6,9,12H,7H2,1-2H3
InChIKeyHNIODBKZFJTOAP-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
4-(ethylamino)-N-[1-(4-methylphenyl)ethyl]butane-1-sulfonamide
CID 106011733
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
1-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 62020361
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide (CID 63665593) is 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide is Cc1ccc(C(C)NS(=O)(=O)CCl)cc1.
What is the InChIKey of 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is HNIODBKZFJTOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-8-3-5-10(6-4-8)9(2)12-15(13,14)7-11/h3-6,9,12H,7H2,1-2H3.
What are the key properties of 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide?
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 63665593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).