5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide

C11H15ClN2O3S2 — CID 103099958

IUPAC5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H15ClN2O3S2/c1-9-8-10(18-11(9)12)19(15,16)14(5-3-4-13)6-7-17-2/h8H,3,5-7H2,1-2H3
InChIKeyNAFOBYXGRTUALE-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.26
Rot. Bonds7

About 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide (PubChem CID 103099958) has the molecular formula C11H15ClN2O3S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
PubChem CID103099958
Molecular FormulaC11H15ClN2O3S2
Molecular Weight322.84 g/mol
Exact Mass322.02
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C11H15ClN2O3S2/c1-9-8-10(18-11(9)12)19(15,16)14(5-3-4-13)6-7-17-2/h8H,3,5-7H2,1-2H3
InChIKeyNAFOBYXGRTUALE-UHFFFAOYSA-N
XLogP2.26
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 63287106
2-[5-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63285665
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
CID 103100693
5-bromo-N-(2-cyanoethyl)-N-ethyl-4-methylthiophene-2-sulfonamide
CID 71975650
3-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 63287518
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748749
4-chloro-N,N-bis(2-cyanoethyl)-2,5-dimethylbenzenesulfonamide
CID 3731499
5-amino-2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 65206601
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide
CID 106150631
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63285895
2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
CID 113317287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide (CID 103099958) is 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide is COCCN(CCC#N)S(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is NAFOBYXGRTUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S2/c1-9-8-10(18-11(9)12)19(15,16)14(5-3-4-13)6-7-17-2/h8H,3,5-7H2,1-2H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 322.84 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103099958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).