5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride

C17H22BrClN2O2S2 — CID 67071269

IUPAC5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)C1.Cl
InChIInChI=1S/C17H21BrN2O2S2.ClH/c1-2-10-20-11-9-14(12-20)13-3-5-15(6-4-13)19-24(21,22)17-8-7-16(18)23-17;/h3-8,14,19H,2,9-12H2,1H3;1H/t14-;/m1./s1
InChIKeyWZJRVSCIKBDXHD-PFEQFJNWSA-N
MW465.87 g/mol
LogP4.93
Rot. Bonds6

About 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride

5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 67071269) has the molecular formula C17H22BrClN2O2S2 and a molecular weight of 465.87 g/mol. Its IUPAC name is 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID67071269
Molecular FormulaC17H22BrClN2O2S2
Molecular Weight465.87 g/mol
Exact Mass464.00
IUPAC Name5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
SMILESCCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)C1.Cl
InChIInChI=1S/C17H21BrN2O2S2.ClH/c1-2-10-20-11-9-14(12-20)13-3-5-15(6-4-13)19-24(21,22)17-8-7-16(18)23-17;/h3-8,14,19H,2,9-12H2,1H3;1H/t14-;/m1./s1
InChIKeyWZJRVSCIKBDXHD-PFEQFJNWSA-N
XLogP4.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride (CID 67071269) is 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride is CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)C1.Cl.
What is the InChIKey of 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is WZJRVSCIKBDXHD-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H21BrN2O2S2.ClH/c1-2-10-20-11-9-14(12-20)13-3-5-15(6-4-13)19-24(21,22)17-8-7-16(18)23-17;/h3-8,14,19H,2,9-12H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride?
5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 465.87 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 67071269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).