3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide

C9H20ClNO2S — CID 79585462

IUPAC3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C9H20ClNO2S/c1-5-11(8(2)3)14(12,13)7-9(4)6-10/h8-9H,5-7H2,1-4H3
InChIKeyIELJZTOJCNUCHQ-UHFFFAOYSA-N
MW241.78 g/mol
LogP1.92
Rot. Bonds6

About 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide

3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 79585462) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID79585462
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)CC(C)CCl
InChIInChI=1S/C9H20ClNO2S/c1-5-11(8(2)3)14(12,13)7-9(4)6-10/h8-9H,5-7H2,1-4H3
InChIKeyIELJZTOJCNUCHQ-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 51.92
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

3-chloro-N-ethyl-N-propan-2-ylpropane-1-sulfonamide
CID 43654533
3-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54877383
4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 65755506
3-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79585214
3-chloro-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79585471
3-chloro-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79586010
3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 79586363
N-(3-chloropropyl)-4,4,4-trifluoro-N-propan-2-ylbutane-1-sulfonamide
CID 83058396
3-chloro-N,N-diethylpropane-1-sulfonamide
CID 10262652
N,N-dibutyl-3-chloropropane-1-sulfonamide
CID 14598843
3-chloro-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735557
3-chloro-N-(3,3-dimethylbutyl)-N-propan-2-ylpropane-1-sulfonamide
CID 18735558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide (CID 79585462) is 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide is CCN(C(C)C)S(=O)(=O)CC(C)CCl.
What is the InChIKey of 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is IELJZTOJCNUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-5-11(8(2)3)14(12,13)7-9(4)6-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 241.78 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 79585462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).