5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide

C16H18BrClN2O3S2 — CID 43064529

IUPAC5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C16H18BrClN2O3S2/c17-15-5-6-16(24-15)25(21,22)19-11-14(20-7-9-23-10-8-20)12-3-1-2-4-13(12)18/h1-6,14,19H,7-11H2
InChIKeyVTSMHENZGPELEJ-UHFFFAOYSA-N
MW465.82 g/mol
LogP3.52
Rot. Bonds6

About 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide (PubChem CID 43064529) has the molecular formula C16H18BrClN2O3S2 and a molecular weight of 465.82 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
PubChem CID43064529
Molecular FormulaC16H18BrClN2O3S2
Molecular Weight465.82 g/mol
Exact Mass463.96
IUPAC Name5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C16H18BrClN2O3S2/c17-15-5-6-16(24-15)25(21,22)19-11-14(20-7-9-23-10-8-20)12-3-1-2-4-13(12)18/h1-6,14,19H,7-11H2
InChIKeyVTSMHENZGPELEJ-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
CID 112820227
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064531
ethyl 4-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]benzoate
CID 43064502
1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 97013934
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 43064486
5-bromo-N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]thiophene-2-sulfonamide
CID 124759272

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide (CID 43064529) is 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
The InChIKey is VTSMHENZGPELEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O3S2/c17-15-5-6-16(24-15)25(21,22)19-11-14(20-7-9-23-10-8-20)12-3-1-2-4-13(12)18/h1-6,14,19H,7-11H2.
What are the key properties of 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide has a molecular weight of 465.82 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43064529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).