5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide

C13H20BrNO2S2 — CID 79994846

IUPAC5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCCC2)sc1Br
InChIInChI=1S/C13H20BrNO2S2/c1-10-8-12(18-13(10)14)19(16,17)15(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyQBAIMMHQJRILMM-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.02
Rot. Bonds4

About 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide

5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 79994846) has the molecular formula C13H20BrNO2S2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
PubChem CID79994846
Molecular FormulaC13H20BrNO2S2
Molecular Weight366.35 g/mol
Exact Mass365.01
IUPAC Name5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCCC2)sc1Br
InChIInChI=1S/C13H20BrNO2S2/c1-10-8-12(18-13(10)14)19(16,17)15(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyQBAIMMHQJRILMM-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-bromo-4-chloro-N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80579973
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
2-bromo-5-(chloromethyl)-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 114363627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide (CID 79994846) is 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CCCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is QBAIMMHQJRILMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S2/c1-10-8-12(18-13(10)14)19(16,17)15(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide?
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 366.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 79994846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).