CID 174467940

C11H18ClN2O2SSn — CID 174467940

IUPAC—
SMILESCCN(CC[Sn](C)C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN2O2S.2CH3.Sn/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8;;;/h5-7H,1,3-4H2,2H3;2*1H3;
InChIKeyWPOSHWCRKFFFNW-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.50
Rot. Bonds6

About CID 174467940

CID 174467940 (PubChem CID 174467940) has the molecular formula C11H18ClN2O2SSn and a molecular weight of 396.51 g/mol.

Molecular Properties

Compound NameCID 174467940
PubChem CID174467940
Molecular FormulaC11H18ClN2O2SSn
Molecular Weight396.51 g/mol
Exact Mass396.98
IUPAC Name—
SMILESCCN(CC[Sn](C)C)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN2O2S.2CH3.Sn/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8;;;/h5-7H,1,3-4H2,2H3;2*1H3;
InChIKeyWPOSHWCRKFFFNW-UHFFFAOYSA-N
XLogP2.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
6-chloro-N-[(3-chlorophenyl)methyl]-N-ethylpyridine-3-sulfonamide
CID 61045031
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
N,N-dibenzyl-6-chloropyridine-3-sulfonamide
CID 2433225
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide
CID 60980774
6-chloropyridine-3-sulfonyl fluoride
CID 105449565
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980

Frequently Asked Questions

What is the IUPAC name of CID 174467940?
The IUPAC name of CID 174467940 (CID 174467940) is not available.
What is the SMILES notation for CID 174467940?
The canonical SMILES for CID 174467940 is CCN(CC[Sn](C)C)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of CID 174467940?
The InChIKey is WPOSHWCRKFFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN2O2S.2CH3.Sn/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8;;;/h5-7H,1,3-4H2,2H3;2*1H3;.
What are the key properties of CID 174467940?
CID 174467940 has a molecular weight of 396.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174467940 is sourced from PubChem (CID 174467940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).