N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide

C11H22ClNO2S — CID 122636521

IUPACN-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide
SMILESC[C@@H](CCCl)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-10(7-8-12)13-16(14,15)9-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyUHZMYWJXQOKUEW-JTQLQIEISA-N
MW267.82 g/mol
LogP2.50
Rot. Bonds6

About N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide

N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide (PubChem CID 122636521) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide
PubChem CID122636521
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide
SMILESC[C@@H](CCCl)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c1-10(7-8-12)13-16(14,15)9-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyUHZMYWJXQOKUEW-JTQLQIEISA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.50
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

1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 79585235
3-chloro-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 79585407
3-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 79585495
4-chloro-N-[2-(trifluoromethyl)cyclohexyl]butane-1-sulfonamide
CID 113567817
N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
4-chloro-N-[3-(trifluoromethyl)cyclohexyl]butane-1-sulfonamide
CID 116815747
4-chloro-N-[4-(trifluoromethyl)cyclohexyl]butane-1-sulfonamide
CID 116815770
N-(3-Chloropropanesulfonyl)-N-(2-cyclohexylethyl)amine
CID 18361161
1-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 64295184
N-(4-chlorobutan-2-yl)-1-cyclohexylmethanesulfonamide
CID 83179586
3-chloro-N-(4-methylpentan-2-yl)propane-1-sulfonamide
CID 43653847

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide (CID 122636521) is N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide is C[C@@H](CCCl)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide?
The InChIKey is UHZMYWJXQOKUEW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-10(7-8-12)13-16(14,15)9-11-5-3-2-4-6-11/h10-11,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide?
N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-chlorobutan-2-yl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 122636521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).