3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide

C11H24ClNO2S — CID 43653887

IUPAC3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-10(2)8-13(9-11(3)4)16(14,15)7-5-6-12/h10-11H,5-9H2,1-4H3
InChIKeyTVERIDDKXJZHKX-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.56
Rot. Bonds8

About 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide

3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide (PubChem CID 43653887) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide
PubChem CID43653887
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-10(2)8-13(9-11(3)4)16(14,15)7-5-6-12/h10-11H,5-9H2,1-4H3
InChIKeyTVERIDDKXJZHKX-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide (CID 43653887) is 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is TVERIDDKXJZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(2)8-13(9-11(3)4)16(14,15)7-5-6-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide?
3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 43653887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).