4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide

C10H20ClNO2S — CID 116816598

IUPAC4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCCCC1CC1
InChIInChI=1S/C10H20ClNO2S/c11-7-1-2-9-15(13,14)12-8-3-4-10-5-6-10/h10,12H,1-9H2
InChIKeyPOBMFXDIDKPRQE-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.12
Rot. Bonds9

About 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide

4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide (PubChem CID 116816598) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide
PubChem CID116816598
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCCCC1CC1
InChIInChI=1S/C10H20ClNO2S/c11-7-1-2-9-15(13,14)12-8-3-4-10-5-6-10/h10,12H,1-9H2
InChIKeyPOBMFXDIDKPRQE-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.12
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'}

Analyze 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 114516550
6-chloro-N-pentylhexane-1-sulfonamide
CID 57134163
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
4-chloro-N-(3-methylsulfinylpropyl)butane-1-sulfonamide
CID 116816553
N-[2-(1-adamantyl)ethyl]-4-chlorobutane-1-sulfonamide
CID 116814870
N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
CID 106013598
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
CID 116816051
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide (CID 116816598) is 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)NCCCC1CC1.
What is the InChIKey of 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide?
The InChIKey is POBMFXDIDKPRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c11-7-1-2-9-15(13,14)12-8-3-4-10-5-6-10/h10,12H,1-9H2.
What are the key properties of 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide?
4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 116816598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).