N-butyl-5-chloro-N-methylpentane-1-sulfonamide

C10H22ClNO2S — CID 19711033

IUPACN-butyl-5-chloro-N-methylpentane-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)CCCCCCl
InChIInChI=1S/C10H22ClNO2S/c1-3-4-9-12(2)15(13,14)10-7-5-6-8-11/h3-10H2,1-2H3
InChIKeyOHKVABJHVFKMQX-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.46
Rot. Bonds9

About N-butyl-5-chloro-N-methylpentane-1-sulfonamide

N-butyl-5-chloro-N-methylpentane-1-sulfonamide (PubChem CID 19711033) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N-butyl-5-chloro-N-methylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-methylpentane-1-sulfonamide
PubChem CID19711033
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN-butyl-5-chloro-N-methylpentane-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)CCCCCCl
InChIInChI=1S/C10H22ClNO2S/c1-3-4-9-12(2)15(13,14)10-7-5-6-8-11/h3-10H2,1-2H3
InChIKeyOHKVABJHVFKMQX-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
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-butyl-5-chloro-N-methylpentane-1-sulfonamide?
The IUPAC name of N-butyl-5-chloro-N-methylpentane-1-sulfonamide (CID 19711033) is N-butyl-5-chloro-N-methylpentane-1-sulfonamide.
What is the SMILES notation for N-butyl-5-chloro-N-methylpentane-1-sulfonamide?
The canonical SMILES for N-butyl-5-chloro-N-methylpentane-1-sulfonamide is CCCCN(C)S(=O)(=O)CCCCCCl.
What is the InChIKey of N-butyl-5-chloro-N-methylpentane-1-sulfonamide?
The InChIKey is OHKVABJHVFKMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-3-4-9-12(2)15(13,14)10-7-5-6-8-11/h3-10H2,1-2H3.
What are the key properties of N-butyl-5-chloro-N-methylpentane-1-sulfonamide?
N-butyl-5-chloro-N-methylpentane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-methylpentane-1-sulfonamide is sourced from PubChem (CID 19711033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).