1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide

C11H16ClNO3S — CID 63664348

IUPAC1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
SMILESCC(C)COc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C11H16ClNO3S/c1-9(2)7-16-11-6-4-3-5-10(11)13-17(14,15)8-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyOGUMVJPTWGGQAN-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.66
Rot. Bonds6

About 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide

1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide (PubChem CID 63664348) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
PubChem CID63664348
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
SMILESCC(C)COc1ccccc1NS(=O)(=O)CCl
InChIInChI=1S/C11H16ClNO3S/c1-9(2)7-16-11-6-4-3-5-10(11)13-17(14,15)8-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyOGUMVJPTWGGQAN-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.66
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

N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
2-N-[2-(2-methylpropoxy)phenyl]propane-1,2-diamine
CID 103389265
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide (CID 63664348) is 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide is CC(C)COc1ccccc1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
The InChIKey is OGUMVJPTWGGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-9(2)7-16-11-6-4-3-5-10(11)13-17(14,15)8-12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide?
1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 63664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).