N-(4-chloro-2-methylbutyl)propane-1-sulfonamide

C8H18ClNO2S — CID 66089022

IUPACN-(4-chloro-2-methylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)CCCl
InChIInChI=1S/C8H18ClNO2S/c1-3-6-13(11,12)10-7-8(2)4-5-9/h8,10H,3-7H2,1-2H3
InChIKeySAWREIJSUIVWTL-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.58
Rot. Bonds7

About N-(4-chloro-2-methylbutyl)propane-1-sulfonamide

N-(4-chloro-2-methylbutyl)propane-1-sulfonamide (PubChem CID 66089022) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)propane-1-sulfonamide
PubChem CID66089022
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN-(4-chloro-2-methylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)CCCl
InChIInChI=1S/C8H18ClNO2S/c1-3-6-13(11,12)10-7-8(2)4-5-9/h8,10H,3-7H2,1-2H3
InChIKeySAWREIJSUIVWTL-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
2-chloro-N-(2-methylbutyl)ethanesulfonamide
CID 107651892
N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489
5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247
N-[2-(2-chloroethyl)pentyl]-2-methoxyethanesulfonamide
CID 106118276
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)propane-1-sulfonamide (CID 66089022) is N-(4-chloro-2-methylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)CCCl.
What is the InChIKey of N-(4-chloro-2-methylbutyl)propane-1-sulfonamide?
The InChIKey is SAWREIJSUIVWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-3-6-13(11,12)10-7-8(2)4-5-9/h8,10H,3-7H2,1-2H3.
What are the key properties of N-(4-chloro-2-methylbutyl)propane-1-sulfonamide?
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide has a molecular weight of 227.76 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 66089022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).