4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide

C11H22ClNO2S — CID 105055894

IUPAC4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
SMILESCCCC1(CNS(=O)(=O)CCCCCl)CC1
InChIInChI=1S/C11H22ClNO2S/c1-2-5-11(6-7-11)10-13-16(14,15)9-4-3-8-12/h13H,2-10H2,1H3
InChIKeyVBAANVWUWOSZOW-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.51
Rot. Bonds9

About 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide

4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide (PubChem CID 105055894) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
PubChem CID105055894
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
SMILESCCCC1(CNS(=O)(=O)CCCCCl)CC1
InChIInChI=1S/C11H22ClNO2S/c1-2-5-11(6-7-11)10-13-16(14,15)9-4-3-8-12/h13H,2-10H2,1H3
InChIKeyVBAANVWUWOSZOW-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.51
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-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
2-(2-aminoethoxy)-N-[(1-propylcyclopropyl)methyl]ethanesulfonamide
CID 112751637
N-[[1-(bromomethyl)cyclopropyl]methyl]propane-1-sulfonamide
CID 115456556
3-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103968261
4-chloro-N-[(2-methyloxolan-2-yl)methyl]butane-1-sulfonamide
CID 116816339
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
N-[(1-propylcyclopropyl)methyl]propane-2-sulfonamide
CID 103761867
4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
CID 114124982
1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
CID 107858937
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
CID 65123213
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]ethanesulfonamide
CID 114749822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide (CID 105055894) is 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide is CCCC1(CNS(=O)(=O)CCCCCl)CC1.
What is the InChIKey of 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide?
The InChIKey is VBAANVWUWOSZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-2-5-11(6-7-11)10-13-16(14,15)9-4-3-8-12/h13H,2-10H2,1H3.
What are the key properties of 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide?
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 105055894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).