N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide

C10H22ClNO3S — CID 116815923

IUPACN-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
SMILESCCCCOCCNS(=O)(=O)CCCCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-3-8-15-9-7-12-16(13,14)10-5-4-6-11/h12H,2-10H2,1H3
InChIKeySFHYUPSARBZXKW-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.74
Rot. Bonds11

About N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide

N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide (PubChem CID 116815923) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
PubChem CID116815923
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC NameN-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
SMILESCCCCOCCNS(=O)(=O)CCCCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-3-8-15-9-7-12-16(13,14)10-5-4-6-11/h12H,2-10H2,1H3
InChIKeySFHYUPSARBZXKW-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-(3-butoxypropyl)-4-hydroxybutane-1-sulfonamide
CID 114135466
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
N-(3-butoxypropyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106080388
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
4-chloro-N-[2-[ethyl(propyl)amino]ethyl]butane-1-sulfonamide
CID 105055855
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
CID 163499248
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide
CID 116816598

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide (CID 116815923) is N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide is CCCCOCCNS(=O)(=O)CCCCCl.
What is the InChIKey of N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide?
The InChIKey is SFHYUPSARBZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-2-3-8-15-9-7-12-16(13,14)10-5-4-6-11/h12H,2-10H2,1H3.
What are the key properties of N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide?
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide is sourced from PubChem (CID 116815923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).