N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide

C10H22ClNO2S — CID 65031040

IUPACN-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(CCl)CC(C)C
InChIInChI=1S/C10H22ClNO2S/c1-4-5-6-15(13,14)12-10(8-11)7-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeySNUXBMNMDNVYLK-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.36
Rot. Bonds8

About N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide

N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide (PubChem CID 65031040) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide
PubChem CID65031040
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(CCl)CC(C)C
InChIInChI=1S/C10H22ClNO2S/c1-4-5-6-15(13,14)12-10(8-11)7-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeySNUXBMNMDNVYLK-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.36
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-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-(1-chloro-4-methylpentan-2-yl)-2-methylpropane-1-sulfonamide
CID 65030984
N-(1-chlorobutan-2-yl)propane-1-sulfonamide
CID 65033874
N-(1-bromobutan-2-yl)butane-1-sulfonamide
CID 114298429
3-chloro-N-hexan-3-ylpropane-1-sulfonamide
CID 62093105
ethyl 2-(3-chloropropylsulfonylamino)-4-methylpentanoate
CID 163488373
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]tetradecane-1-sulfonamide
CID 67576350
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741
1-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 106731016
N-(1-bromo-4-methylpentan-2-yl)-2-methylsulfonylethanesulfonamide
CID 114297331
N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide (CID 65031040) is N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(CCl)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide?
The InChIKey is SNUXBMNMDNVYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-4-5-6-15(13,14)12-10(8-11)7-9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide?
N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 65031040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).