4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide

C10H20ClNO2S — CID 116816411

IUPAC4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide
SMILESC=CCN(CCC)S(=O)(=O)CCCCCl
InChIInChI=1S/C10H20ClNO2S/c1-3-8-12(9-4-2)15(13,14)10-6-5-7-11/h3H,1,4-10H2,2H3
InChIKeyLUYPRODVSOYTGW-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.23
Rot. Bonds9

About 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide

4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide (PubChem CID 116816411) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide
PubChem CID116816411
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Name4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide
SMILESC=CCN(CCC)S(=O)(=O)CCCCCl
InChIInChI=1S/C10H20ClNO2S/c1-3-8-12(9-4-2)15(13,14)10-6-5-7-11/h3H,1,4-10H2,2H3
InChIKeyLUYPRODVSOYTGW-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-prop-2-enyl-N-propylbutane-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

N-(6-chlorohex-1-ynyl)-N-prop-2-enylethanesulfonamide
CID 156769999
3-chloro-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 43653918
3-chloro-N-ethyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
CID 43653919
3-chloro-N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
CID 60958818
4-chloro-N,N-dipropylbutane-1-sulfonamide
CID 65746063
4-chloro-N-ethyl-N-propylbutane-1-sulfonamide
CID 65777629
3-chloro-2-methyl-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 79580276
3-chloro-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propane-1-sulfonamide
CID 79580366
3-chloro-2-methyl-N-propan-2-yl-N-prop-2-enylpropane-1-sulfonamide
CID 79585745
3-chloro-N-cyclopropyl-2-methyl-N-prop-2-enylpropane-1-sulfonamide
CID 81816012
3-chloro-N-cyclopropyl-N-prop-2-enylpropane-1-sulfonamide
CID 81816013
N-tert-butyl-3-chloro-2-methyl-N-prop-2-enylpropane-1-sulfonamide
CID 81816096

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide (CID 116816411) is 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide is C=CCN(CCC)S(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide?
The InChIKey is LUYPRODVSOYTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-3-8-12(9-4-2)15(13,14)10-6-5-7-11/h3H,1,4-10H2,2H3.
What are the key properties of 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide?
4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 116816411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).