5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

C10H15ClN2O2S2 — CID 55206101

IUPAC5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2O2S2/c1-2-13(8-5-6-12-7-8)17(14,15)10-4-3-9(11)16-10/h3-4,8,12H,2,5-7H2,1H3
InChIKeyPXHPWELRSIJWKC-UHFFFAOYSA-N
MW294.83 g/mol
LogP1.77
Rot. Bonds4

About 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (PubChem CID 55206101) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
PubChem CID55206101
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2O2S2/c1-2-13(8-5-6-12-7-8)17(14,15)10-4-3-9(11)16-10/h3-4,8,12H,2,5-7H2,1H3
InChIKeyPXHPWELRSIJWKC-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 119978813
N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-ethyl-7-methyl-N-pyrrolidin-3-yl-1-benzothiophene-2-sulfonamide
CID 167753269
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63299124
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (CID 55206101) is 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is CCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The InChIKey is PXHPWELRSIJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-2-13(8-5-6-12-7-8)17(14,15)10-4-3-9(11)16-10/h3-4,8,12H,2,5-7H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide has a molecular weight of 294.83 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 55206101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).