5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

C12H14BrNO3S3 — CID 97417531

IUPAC5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc(C)s1
InChIInChI=1S/C12H14BrNO3S3/c1-8-3-4-10(18-8)9(17-2)7-14-20(15,16)12-6-5-11(13)19-12/h3-6,9,14H,7H2,1-2H3/t9-/m1/s1
InChIKeyDRJWKJIQITUXGM-SECBINFHSA-N
MW396.35 g/mol
LogP3.55
Rot. Bonds6

About 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 97417531) has the molecular formula C12H14BrNO3S3 and a molecular weight of 396.35 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID97417531
Molecular FormulaC12H14BrNO3S3
Molecular Weight396.35 g/mol
Exact Mass394.93
IUPAC Name5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc(C)s1
InChIInChI=1S/C12H14BrNO3S3/c1-8-3-4-10(18-8)9(17-2)7-14-20(15,16)12-6-5-11(13)19-12/h3-6,9,14H,7H2,1-2H3/t9-/m1/s1
InChIKeyDRJWKJIQITUXGM-SECBINFHSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90598463
methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
5-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
CID 73168447
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
CID 71810393
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 97417531) is 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is CO[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccc(C)s1.
What is the InChIKey of 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is DRJWKJIQITUXGM-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrNO3S3/c1-8-3-4-10(18-8)9(17-2)7-14-20(15,16)12-6-5-11(13)19-12/h3-6,9,14H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 396.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97417531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).