N-tert-butyl-6-chlorohexane-1-sulfonamide

C10H22ClNO2S — CID 22111612

IUPACN-tert-butyl-6-chlorohexane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCCCCCCl
InChIInChI=1S/C10H22ClNO2S/c1-10(2,3)12-15(13,14)9-7-5-4-6-8-11/h12H,4-9H2,1-3H3
InChIKeyIKFSMNQFTULZBC-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.50
Rot. Bonds7

About N-tert-butyl-6-chlorohexane-1-sulfonamide

N-tert-butyl-6-chlorohexane-1-sulfonamide (PubChem CID 22111612) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N-tert-butyl-6-chlorohexane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-chlorohexane-1-sulfonamide
PubChem CID22111612
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN-tert-butyl-6-chlorohexane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCCCCCCl
InChIInChI=1S/C10H22ClNO2S/c1-10(2,3)12-15(13,14)9-7-5-4-6-8-11/h12H,4-9H2,1-3H3
InChIKeyIKFSMNQFTULZBC-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chlorohexane-1-sulfonamide?
The IUPAC name of N-tert-butyl-6-chlorohexane-1-sulfonamide (CID 22111612) is N-tert-butyl-6-chlorohexane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-chlorohexane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-6-chlorohexane-1-sulfonamide is CC(C)(C)NS(=O)(=O)CCCCCCCl.
What is the InChIKey of N-tert-butyl-6-chlorohexane-1-sulfonamide?
The InChIKey is IKFSMNQFTULZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-10(2,3)12-15(13,14)9-7-5-4-6-8-11/h12H,4-9H2,1-3H3.
What are the key properties of N-tert-butyl-6-chlorohexane-1-sulfonamide?
N-tert-butyl-6-chlorohexane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chlorohexane-1-sulfonamide is sourced from PubChem (CID 22111612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).