N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide

C11H24ClNO2S — CID 103521701

IUPACN-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-5-8-13(9-7-12)16(14,15)10-6-11(2,3)4/h5-10H2,1-4H3
InChIKeyPHVGDHPHECFHFH-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.70
Rot. Bonds7

About N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide

N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide (PubChem CID 103521701) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
PubChem CID103521701
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
SMILESCCCN(CCCl)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-5-8-13(9-7-12)16(14,15)10-6-11(2,3)4/h5-10H2,1-4H3
InChIKeyPHVGDHPHECFHFH-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521829
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
N-(cyanomethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
CID 103521132
N-(2-chloroethyl)-3-methyl-N-propylbutane-1-sulfonamide
CID 63856983
N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
CID 103521702
N-(2-bromoethyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521761
N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide
CID 18735750
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
1-(2-chloroethyl)-3-[2-(dipropylsulfamoyl)ethyl]-1-nitrosourea
CID 3021905
N-(2-aminoethyl)-N-propylpropane-1-sulfonamide
CID 61348593
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide
CID 98652950

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide (CID 103521701) is N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide is CCCN(CCCl)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide?
The InChIKey is PHVGDHPHECFHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-5-8-13(9-7-12)16(14,15)10-6-11(2,3)4/h5-10H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide?
N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 103521701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).