N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

C14H16BrNO3S2 — CID 8818376

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-10-4-6-12(19-3)13(8-10)21(17,18)16(2)9-11-5-7-14(15)20-11/h4-8H,9H2,1-3H3
InChIKeyHHWWGWXYJJGHLR-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.65
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (PubChem CID 8818376) has the molecular formula C14H16BrNO3S2 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
PubChem CID8818376
Molecular FormulaC14H16BrNO3S2
Molecular Weight390.32 g/mol
Exact Mass388.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNO3S2/c1-10-4-6-12(19-3)13(8-10)21(17,18)16(2)9-11-5-7-14(15)20-11/h4-8H,9H2,1-3H3
InChIKeyHHWWGWXYJJGHLR-UHFFFAOYSA-N
XLogP3.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823029
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8795214
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 989380

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (CID 8818376) is N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The InChIKey is HHWWGWXYJJGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3S2/c1-10-4-6-12(19-3)13(8-10)21(17,18)16(2)9-11-5-7-14(15)20-11/h4-8H,9H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide has a molecular weight of 390.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 8818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).