5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide

C11H16ClNO3S2 — CID 82746154

IUPAC5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(CCl)cc1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C11H16ClNO3S2/c1-8-11(5-10(6-12)17-8)18(14,15)13(2)9-3-4-16-7-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyHOMSJTAZXDHMIW-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.20
Rot. Bonds4

About 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide

5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide (PubChem CID 82746154) has the molecular formula C11H16ClNO3S2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
PubChem CID82746154
Molecular FormulaC11H16ClNO3S2
Molecular Weight309.84 g/mol
Exact Mass309.03
IUPAC Name5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
SMILESCc1sc(CCl)cc1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C11H16ClNO3S2/c1-8-11(5-10(6-12)17-8)18(14,15)13(2)9-3-4-16-7-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyHOMSJTAZXDHMIW-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069
5-(chloromethyl)-N-methyl-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82745840
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744473
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745729
5-(chloromethyl)-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82744947
3-(chloromethyl)-2,4-difluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745508
4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
5-(aminomethyl)-2,4-dichloro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745272
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
5-(chloromethyl)-N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)thiophene-3-sulfonamide
CID 112667165
4-chloro-N,2-dimethyl-5-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 81495206
4-(ethylamino)-N,2,6-trimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 107329077

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide (CID 82746154) is 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide is Cc1sc(CCl)cc1S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is HOMSJTAZXDHMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S2/c1-8-11(5-10(6-12)17-8)18(14,15)13(2)9-3-4-16-7-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide?
5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 309.84 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,2-dimethyl-N-(oxolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 82746154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).