1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide

C10H14ClNO3S — CID 107858721

IUPAC1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)CCl)cc1
InChIInChI=1S/C10H14ClNO3S/c1-8(12-16(13,14)7-11)9-3-5-10(15-2)6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1
InChIKeyDZAIHWKEBURPBO-MRVPVSSYSA-N
MW263.75 g/mol
LogP1.87
Rot. Bonds5

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

1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 107858721) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID107858721
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc([C@@H](C)NS(=O)(=O)CCl)cc1
InChIInChI=1S/C10H14ClNO3S/c1-8(12-16(13,14)7-11)9-3-5-10(15-2)6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1
InChIKeyDZAIHWKEBURPBO-MRVPVSSYSA-N
XLogP1.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.87
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-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 93487532
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide (CID 107858721) is 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide is COc1ccc([C@@H](C)NS(=O)(=O)CCl)cc1.
What is the InChIKey of 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is DZAIHWKEBURPBO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-8(12-16(13,14)7-11)9-3-5-10(15-2)6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide?
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 107858721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).