2-chloro-N-(2-methylbutyl)ethanesulfonamide

C7H16ClNO2S — CID 107651892

IUPAC2-chloro-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CNS(=O)(=O)CCCl
InChIInChI=1S/C7H16ClNO2S/c1-3-7(2)6-9-12(10,11)5-4-8/h7,9H,3-6H2,1-2H3
InChIKeyKPBSHDMXXWTCDH-UHFFFAOYSA-N
MW213.73 g/mol
LogP1.19
Rot. Bonds6

About 2-chloro-N-(2-methylbutyl)ethanesulfonamide

2-chloro-N-(2-methylbutyl)ethanesulfonamide (PubChem CID 107651892) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutyl)ethanesulfonamide
PubChem CID107651892
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-(2-methylbutyl)ethanesulfonamide
SMILESCCC(C)CNS(=O)(=O)CCCl
InChIInChI=1S/C7H16ClNO2S/c1-3-7(2)6-9-12(10,11)5-4-8/h7,9H,3-6H2,1-2H3
InChIKeyKPBSHDMXXWTCDH-UHFFFAOYSA-N
XLogP1.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 51.19
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-(2-methylbutyl)ethanesulfonamide
CID 64584156
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
N-(2-methylbutyl)sulfamoyl chloride
CID 114958197
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
2-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]ethanesulfonamide
CID 107651672
3-chloro-N-[2-(dimethylamino)-3-ethylpentyl]propane-1-sulfonamide
CID 61248209
2-chloro-N-(2-cyclopropyl-2-hydroxyethyl)ethanesulfonamide
CID 107651943
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
N-(3-bromo-2-methylpropyl)ethanesulfonamide
CID 114298221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(2-methylbutyl)ethanesulfonamide (CID 107651892) is 2-chloro-N-(2-methylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylbutyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylbutyl)ethanesulfonamide is CCC(C)CNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-(2-methylbutyl)ethanesulfonamide?
The InChIKey is KPBSHDMXXWTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO2S/c1-3-7(2)6-9-12(10,11)5-4-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylbutyl)ethanesulfonamide?
2-chloro-N-(2-methylbutyl)ethanesulfonamide has a molecular weight of 213.73 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutyl)ethanesulfonamide is sourced from PubChem (CID 107651892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).