N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide

C12H15ClN2O2S2 — CID 119975725

IUPACN-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C12H15ClN2O2S2/c1-12(2,7-14)15-19(16,17)11-6-8-5-9(13)3-4-10(8)18-11/h3-6,15H,7,14H2,1-2H3
InChIKeyYFXUDBGLWBKHJC-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.57
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide (PubChem CID 119975725) has the molecular formula C12H15ClN2O2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
PubChem CID119975725
Molecular FormulaC12H15ClN2O2S2
Molecular Weight318.85 g/mol
Exact Mass318.03
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C12H15ClN2O2S2/c1-12(2,7-14)15-19(16,17)11-6-8-5-9(13)3-4-10(8)18-11/h3-6,15H,7,14H2,1-2H3
InChIKeyYFXUDBGLWBKHJC-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119962251
3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide
CID 71860322
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide
CID 63194541
N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-2-sulfonamide
CID 119985846
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
N-(1-amino-2-methylpropan-2-yl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119975810
5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
CID 120825013
5-chloro-N-[2-(propylamino)ethyl]-1-benzothiophene-2-sulfonamide
CID 120715854
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
CID 119975669
5-chloro-N-(4-methylpiperidin-3-yl)-1-benzothiophene-2-sulfonamide
CID 120722540

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide (CID 119975725) is N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide is CC(C)(CN)NS(=O)(=O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide?
The InChIKey is YFXUDBGLWBKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S2/c1-12(2,7-14)15-19(16,17)11-6-8-5-9(13)3-4-10(8)18-11/h3-6,15H,7,14H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide has a molecular weight of 318.85 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 119975725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).