N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide

C11H24ClNO2S — CID 103521829

IUPACN-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
SMILESCCN(CCCCl)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-5-13(9-6-8-12)16(14,15)10-7-11(2,3)4/h5-10H2,1-4H3
InChIKeyPVWYQIGTXICIJN-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.70
Rot. Bonds7

About N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide

N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521829) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521829
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
SMILESCCN(CCCCl)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-5-13(9-6-8-12)16(14,15)10-7-11(2,3)4/h5-10H2,1-4H3
InChIKeyPVWYQIGTXICIJN-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3,3-dimethylbutane-1-sulfonamide
CID 107492819
N-(2-chloroethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 107493017
3-chloro-N,N-diethylpropane-1-sulfonamide
CID 10262652
N,N-dibutyl-3-chloropropane-1-sulfonamide
CID 14598843
3-chloro-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735557
3-chloro-N-(3,3-dimethylbutyl)-N-propan-2-ylpropane-1-sulfonamide
CID 18735558
3-chloro-N-(3,3-dimethylbutyl)-N-propylpropane-1-sulfonamide
CID 18735559
N-butyl-3-chloro-N-(3,3-dimethylbutyl)propane-1-sulfonamide
CID 18736055
5-chloro-N,N-dipropylpentane-1-sulfonamide
CID 22111563
3-chloro-N-ethyl-N-propylpropane-1-sulfonamide
CID 43654528
N-butyl-2-chloro-N-ethylethanesulfonamide
CID 60722891
2-chloro-N-ethyl-N-propylethanesulfonamide
CID 65775653

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide (CID 103521829) is N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide is CCN(CCCCl)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is PVWYQIGTXICIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-5-13(9-6-8-12)16(14,15)10-7-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide?
N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).