5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H10BrCl2NO3S2 — CID 103293302

IUPAC5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H10BrCl2NO3S2/c1-19-10-4-2-3-8(14)7(10)6-16-21(17,18)11-5-9(15)12(13)20-11/h2-5,16H,6H2,1H3
InChIKeyYWCCEYQXLCJPDH-UHFFFAOYSA-N
MW431.16 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 103293302) has the molecular formula C12H10BrCl2NO3S2 and a molecular weight of 431.16 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID103293302
Molecular FormulaC12H10BrCl2NO3S2
Molecular Weight431.16 g/mol
Exact Mass428.87
IUPAC Name5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H10BrCl2NO3S2/c1-19-10-4-2-3-8(14)7(10)6-16-21(17,18)11-5-9(15)12(13)20-11/h2-5,16H,6H2,1H3
InChIKeyYWCCEYQXLCJPDH-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 81090482
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
CID 103292180
5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 106087259
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4,5-dibromothiophen-2-yl)methanamine
CID 103292056
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
5-bromo-4-chloro-N-[2-(3-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 80579950
methyl 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-chloropropanoate
CID 103493476
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 103293007
5-bromo-4-chloro-N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 80578862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 103293302) is 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1cccc(Cl)c1CNS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is YWCCEYQXLCJPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO3S2/c1-19-10-4-2-3-8(14)7(10)6-16-21(17,18)11-5-9(15)12(13)20-11/h2-5,16H,6H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 431.16 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103293302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).