N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide

C11H24ClNO2S — CID 106158943

IUPACN-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC(C)CCl
InChIInChI=1S/C11H24ClNO2S/c1-10(2)6-8-16(14,15)13-7-4-5-11(3)9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyDAQKPCQZTBTQLQ-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.61
Rot. Bonds9

About N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide

N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide (PubChem CID 106158943) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
PubChem CID106158943
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC(C)CCl
InChIInChI=1S/C11H24ClNO2S/c1-10(2)6-8-16(14,15)13-7-4-5-11(3)9-12/h10-11,13H,4-9H2,1-3H3
InChIKeyDAQKPCQZTBTQLQ-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.61
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-(5-chloro-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 106158833
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
N-(4-bromopentyl)-3-methylbutane-1-sulfonamide
CID 106135738
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158848
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
CID 56795208
2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
CID 107651702
N-(3-bromo-4-methoxybutyl)-3-methylbutane-1-sulfonamide
CID 106245684

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide (CID 106158943) is N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCCCC(C)CCl.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is DAQKPCQZTBTQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-10(2)6-8-16(14,15)13-7-4-5-11(3)9-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide?
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 106158943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).