N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide

C11H24ClNO2S — CID 106135546

IUPACN-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(12)6-5-8-13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyLBMRGHAUTAICPF-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.75
Rot. Bonds7

About N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide

N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 106135546) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID106135546
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-10(12)6-5-8-13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyLBMRGHAUTAICPF-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.75
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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Related Compounds

N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
7-chloro-2,2-dimethyloctane
CID 64515628
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521746
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
4-chloro-N-(2-ethylsulfonylethyl)pentan-1-amine
CID 106121689

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide (CID 106135546) is N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide is CC(Cl)CCCNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is LBMRGHAUTAICPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(12)6-5-8-13-16(14,15)9-7-11(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 106135546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).