N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide

C9H17Cl2NO2S — CID 107868369

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide
SMILESCCC(CCl)(CCl)NS(=O)(=O)CC1CC1
InChIInChI=1S/C9H17Cl2NO2S/c1-2-9(6-10,7-11)12-15(13,14)5-8-3-4-8/h8,12H,2-7H2,1H3
InChIKeyDTHAAWKAEUXICO-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.94
Rot. Bonds7

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide (PubChem CID 107868369) has the molecular formula C9H17Cl2NO2S and a molecular weight of 274.21 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide
PubChem CID107868369
Molecular FormulaC9H17Cl2NO2S
Molecular Weight274.21 g/mol
Exact Mass273.04
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide
SMILESCCC(CCl)(CCl)NS(=O)(=O)CC1CC1
InChIInChI=1S/C9H17Cl2NO2S/c1-2-9(6-10,7-11)12-15(13,14)5-8-3-4-8/h8,12H,2-7H2,1H3
InChIKeyDTHAAWKAEUXICO-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.94
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-2-methylbutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 65032467
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-methoxyethanesulfonamide
CID 107868392
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-methylpiperidine-1-sulfonamide
CID 107868435
1-cyclopropyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)methanesulfonamide
CID 103931299
1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine
CID 107867141
N-tert-butyl-1-cyclopropylmethanesulfonamide;N-tert-butyl-2-methylpropane-1-sulfonamide
CID 163730626
1-cyclohexyl-N-(1-hydroxy-2-methylpropan-2-yl)methanesulfonamide
CID 61453787
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzenesulfonamide
CID 107868413
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
CID 65036846
1-chloro-2-(chloromethyl)-N-(2-methylsulfonylethyl)butan-2-amine
CID 107867012
1-cyclopropyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 64987940
2-methylbutan-2-ylsulfonylmethylcyclopropane
CID 89078448

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide (CID 107868369) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide is CCC(CCl)(CCl)NS(=O)(=O)CC1CC1.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide?
The InChIKey is DTHAAWKAEUXICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO2S/c1-2-9(6-10,7-11)12-15(13,14)5-8-3-4-8/h8,12H,2-7H2,1H3.
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide has a molecular weight of 274.21 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 107868369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).