5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride

C9H14Cl2N2O2S2 — CID 119978813

IUPAC5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H13ClN2O2S2.ClH/c1-12(7-4-5-11-6-7)16(13,14)9-3-2-8(10)15-9;/h2-3,7,11H,4-6H2,1H3;1H
InChIKeyKBTHXWYEIMDSOS-UHFFFAOYSA-N
MW317.26 g/mol
LogP1.81
Rot. Bonds3

About 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride

5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride (PubChem CID 119978813) has the molecular formula C9H14Cl2N2O2S2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
PubChem CID119978813
Molecular FormulaC9H14Cl2N2O2S2
Molecular Weight317.26 g/mol
Exact Mass315.99
IUPAC Name5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C9H13ClN2O2S2.ClH/c1-12(7-4-5-11-6-7)16(13,14)9-3-2-8(10)15-9;/h2-3,7,11H,4-6H2,1H3;1H
InChIKeyKBTHXWYEIMDSOS-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 55206101
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
CID 115118693
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801
2,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298034
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930
4-bromo-2,3-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709932

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride (CID 119978813) is 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)c1ccc(Cl)s1.Cl.
What is the InChIKey of 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride?
The InChIKey is KBTHXWYEIMDSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2.ClH/c1-12(7-4-5-11-6-7)16(13,14)9-3-2-8(10)15-9;/h2-3,7,11H,4-6H2,1H3;1H.
What are the key properties of 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride?
5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119978813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).