5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide

C10H11ClN2O3S2 — CID 75478474

IUPAC5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide
SMILESCN(C1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2O3S2/c1-13(10(6-12)4-5-16-7-10)18(14,15)9-3-2-8(11)17-9/h2-3H,4-5,7H2,1H3
InChIKeyBEZUZYJHZSQIQM-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.70
Rot. Bonds3

About 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide

5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 75478474) has the molecular formula C10H11ClN2O3S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide
PubChem CID75478474
Molecular FormulaC10H11ClN2O3S2
Molecular Weight306.80 g/mol
Exact Mass305.99
IUPAC Name5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide
SMILESCN(C1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2O3S2/c1-13(10(6-12)4-5-16-7-10)18(14,15)9-3-2-8(11)17-9/h2-3H,4-5,7H2,1H3
InChIKeyBEZUZYJHZSQIQM-UHFFFAOYSA-N
XLogP1.70
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 99624673
2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide
CID 75478804
1-(5-chloro-2-fluorophenyl)-N-[(3R)-3-cyanooxolan-3-yl]-N-methylmethanesulfonamide
CID 99842239
N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 166264667
3-(dimethylamino)oxolane-3-carbonitrile
CID 10630582
N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 75458245
N-[(3R)-3-cyanooxolan-3-yl]-4-(ethylsulfonylamino)-2-methoxy-N-methylbenzenesulfonamide
CID 97309005
5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55496223
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
4-chloro-N-(1-cyanocyclobutyl)-2-fluoro-N-methylbenzenesulfonamide
CID 75477617
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide (CID 75478474) is 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide is CN(C1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is BEZUZYJHZSQIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S2/c1-13(10(6-12)4-5-16-7-10)18(14,15)9-3-2-8(11)17-9/h2-3H,4-5,7H2,1H3.
What are the key properties of 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide?
5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 75478474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).