5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide

C14H16BrNO2S2 — CID 79994649

IUPAC5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNO2S2/c1-10-6-4-5-7-12(10)9-16(3)20(17,18)13-8-11(2)14(15)19-13/h4-8H,9H2,1-3H3
InChIKeyCZJZKYGLWAOCSX-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.95
Rot. Bonds4

About 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide

5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 79994649) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID79994649
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H16BrNO2S2/c1-10-6-4-5-7-12(10)9-16(3)20(17,18)13-8-11(2)14(15)19-13/h4-8H,9H2,1-3H3
InChIKeyCZJZKYGLWAOCSX-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
CID 79988961
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 115328805
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
N-[(2-aminophenyl)methyl]-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099506
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
5-bromo-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 79988088
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide (CID 79994649) is 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1ccccc1CN(C)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is CZJZKYGLWAOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-10-6-4-5-7-12(10)9-16(3)20(17,18)13-8-11(2)14(15)19-13/h4-8H,9H2,1-3H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 374.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79994649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).