5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide

C13H22BrNO2S2 — CID 102907721

IUPAC5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H22BrNO2S2/c1-8(2)11(9(3)4)7-15-19(16,17)12-6-13(14)18-10(12)5/h6,8-9,11,15H,7H2,1-5H3
InChIKeyKEZPZBLMUXLILW-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.03
Rot. Bonds6

About 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide (PubChem CID 102907721) has the molecular formula C13H22BrNO2S2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
PubChem CID102907721
Molecular FormulaC13H22BrNO2S2
Molecular Weight368.36 g/mol
Exact Mass367.03
IUPAC Name5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H22BrNO2S2/c1-8(2)11(9(3)4)7-15-19(16,17)12-6-13(14)18-10(12)5/h6,8-9,11,15H,7H2,1-5H3
InChIKeyKEZPZBLMUXLILW-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
2-methyl-5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102915780
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
CID 114295520
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
2-bromo-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907709
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide (CID 102907721) is 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide?
The InChIKey is KEZPZBLMUXLILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2S2/c1-8(2)11(9(3)4)7-15-19(16,17)12-6-13(14)18-10(12)5/h6,8-9,11,15H,7H2,1-5H3.
What are the key properties of 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide has a molecular weight of 368.36 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102907721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).