5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide

C12H15ClN2O2S2 — CID 120825013

IUPAC5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C12H15ClN2O2S2/c1-8(14-2)7-15-19(16,17)12-6-9-5-10(13)3-4-11(9)18-12/h3-6,8,14-15H,7H2,1-2H3
InChIKeyBHTOMUKQPDKZBL-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.44
Rot. Bonds5

About 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide

5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide (PubChem CID 120825013) has the molecular formula C12H15ClN2O2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
PubChem CID120825013
Molecular FormulaC12H15ClN2O2S2
Molecular Weight318.85 g/mol
Exact Mass318.03
IUPAC Name5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C12H15ClN2O2S2/c1-8(14-2)7-15-19(16,17)12-6-9-5-10(13)3-4-11(9)18-12/h3-6,8,14-15H,7H2,1-2H3
InChIKeyBHTOMUKQPDKZBL-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(propylamino)ethyl]-1-benzothiophene-2-sulfonamide
CID 120715854
N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119962251
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide
CID 71860322
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120824863
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide (CID 120825013) is 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide is CNC(C)CNS(=O)(=O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is BHTOMUKQPDKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S2/c1-8(14-2)7-15-19(16,17)12-6-9-5-10(13)3-4-11(9)18-12/h3-6,8,14-15H,7H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide?
5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 318.85 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 120825013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).