3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide

C13H13BrClNO3S2 — CID 55627830

IUPAC3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1Br
InChIInChI=1S/C13H13BrClNO3S2/c1-8(12-5-6-13(15)20-12)16-21(17,18)9-3-4-11(19-2)10(14)7-9/h3-8,16H,1-2H3
InChIKeyUCNJBFPKFUOTQJ-UHFFFAOYSA-N
MW410.74 g/mol
LogP4.21
Rot. Bonds5

About 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide

3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 55627830) has the molecular formula C13H13BrClNO3S2 and a molecular weight of 410.74 g/mol. Its IUPAC name is 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID55627830
Molecular FormulaC13H13BrClNO3S2
Molecular Weight410.74 g/mol
Exact Mass408.92
IUPAC Name3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1Br
InChIInChI=1S/C13H13BrClNO3S2/c1-8(12-5-6-13(15)20-12)16-21(17,18)9-3-4-11(19-2)10(14)7-9/h3-8,16H,1-2H3
InChIKeyUCNJBFPKFUOTQJ-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 34154732
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46406758
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-chlorothiophene
CID 63427355
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
CID 61468769
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide (CID 55627830) is 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is UCNJBFPKFUOTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO3S2/c1-8(12-5-6-13(15)20-12)16-21(17,18)9-3-4-11(19-2)10(14)7-9/h3-8,16H,1-2H3.
What are the key properties of 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide?
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 410.74 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 55627830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).