1-chloro-N-iodo-N-propylmethanesulfonamide

C4H9ClINO2S — CID 118574491

IUPAC1-chloro-N-iodo-N-propylmethanesulfonamide
SMILESCCCN(I)S(=O)(=O)CCl
InChIInChI=1S/C4H9ClINO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyCDIYAJGJKKLINO-UHFFFAOYSA-N
MW297.55 g/mol
LogP1.57
Rot. Bonds4

About 1-chloro-N-iodo-N-propylmethanesulfonamide

1-chloro-N-iodo-N-propylmethanesulfonamide (PubChem CID 118574491) has the molecular formula C4H9ClINO2S and a molecular weight of 297.55 g/mol. Its IUPAC name is 1-chloro-N-iodo-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-iodo-N-propylmethanesulfonamide
PubChem CID118574491
Molecular FormulaC4H9ClINO2S
Molecular Weight297.55 g/mol
Exact Mass296.91
IUPAC Name1-chloro-N-iodo-N-propylmethanesulfonamide
SMILESCCCN(I)S(=O)(=O)CCl
InChIInChI=1S/C4H9ClINO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyCDIYAJGJKKLINO-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.55
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,1-dichloro-N-propylmethanesulfonamide
CID 118574577
N-butyl-1-chloro-N-methylmethanesulfonamide
CID 63666140
1-chloro-N,N-dimethylmethanesulfonamide
CID 10931700
N-chloro-N-methylethanesulfonamide
CID 174844649
1-chloro-N-phenyl-N-propylmethanesulfonamide
CID 118574649
hydroxy(propyl)sulfamic acid
CID 54563366
N-bromo-N-propylmethanesulfonamide
CID 118574418
1-chloro-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 63666805
N-methyl-N-propylpropane-1-sulfonamide
CID 59491856
4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide
CID 116816411
1-chloro-N-(2-methoxyethyl)-N-methylmethanesulfonamide
CID 63665176
1-chloro-N-ethyl-N-(2-methylpropyl)methanesulfonamide
CID 63663896

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-iodo-N-propylmethanesulfonamide?
The IUPAC name of 1-chloro-N-iodo-N-propylmethanesulfonamide (CID 118574491) is 1-chloro-N-iodo-N-propylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-iodo-N-propylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-iodo-N-propylmethanesulfonamide is CCCN(I)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-iodo-N-propylmethanesulfonamide?
The InChIKey is CDIYAJGJKKLINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClINO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3.
What are the key properties of 1-chloro-N-iodo-N-propylmethanesulfonamide?
1-chloro-N-iodo-N-propylmethanesulfonamide has a molecular weight of 297.55 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-iodo-N-propylmethanesulfonamide is sourced from PubChem (CID 118574491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).