5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride

C11H18BrClN2O2S2 — CID 119976925

IUPAC5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-8-10(6-11(12)17-8)18(15,16)14-5-3-9-2-4-13-7-9;/h6,9,13-14H,2-5,7H2,1H3;1H
InChIKeyHMWJTXFACCUVQL-UHFFFAOYSA-N
MW389.77 g/mol
LogP2.52
Rot. Bonds5

About 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride

5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 119976925) has the molecular formula C11H18BrClN2O2S2 and a molecular weight of 389.77 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID119976925
Molecular FormulaC11H18BrClN2O2S2
Molecular Weight389.77 g/mol
Exact Mass387.97
IUPAC Name5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(Br)cc1S(=O)(=O)NCCC1CCNC1.Cl
InChIInChI=1S/C11H17BrN2O2S2.ClH/c1-8-10(6-11(12)17-8)18(15,16)14-5-3-9-2-4-13-7-9;/h6,9,13-14H,2-5,7H2,1H3;1H
InChIKeyHMWJTXFACCUVQL-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
2-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977191
2-bromo-4-fluoro-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98572226
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
2,3,5,6-tetramethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623439
4-bromo-5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120709577
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
CID 103748795
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride (CID 119976925) is 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride is Cc1sc(Br)cc1S(=O)(=O)NCCC1CCNC1.Cl.
What is the InChIKey of 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is HMWJTXFACCUVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2.ClH/c1-8-10(6-11(12)17-8)18(15,16)14-5-3-9-2-4-13-7-9;/h6,9,13-14H,2-5,7H2,1H3;1H.
What are the key properties of 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride?
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119976925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).