5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide

C15H15BrN2O4S2 — CID 1284913

IUPAC5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C15H15BrN2O4S2/c16-13-5-6-14(23-13)24(20,21)17-12-4-2-1-3-11(12)15(19)18-7-9-22-10-8-18/h1-6,17H,7-10H2
InChIKeyMGTLEDZZLMHJTP-UHFFFAOYSA-N
MW431.33 g/mol
LogP2.78
Rot. Bonds4

About 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 1284913) has the molecular formula C15H15BrN2O4S2 and a molecular weight of 431.33 g/mol. Its IUPAC name is 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID1284913
Molecular FormulaC15H15BrN2O4S2
Molecular Weight431.33 g/mol
Exact Mass429.97
IUPAC Name5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C15H15BrN2O4S2/c16-13-5-6-14(23-13)24(20,21)17-12-4-2-1-3-11(12)15(19)18-7-9-22-10-8-18/h1-6,17H,7-10H2
InChIKeyMGTLEDZZLMHJTP-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 25033225
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
2-({[5-Bromo-4-(4-morpholinylsulfonyl)-2-thienyl]carbonyl}amino)benzoic acid
CID 1235832
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-N-(2-methoxyethyl)benzamide
CID 2210754
2-morpholin-4-yl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
CID 9120204
2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4200083
1-[4-[(5-Bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 4855305
N,N-diethyl-2-[(thiophen-2-ylsulfonyl)amino]benzamide
CID 6461716
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-N-isopropylbenzamide
CID 1210804
5-bromo-N-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-thiophenesulfonamide
CID 1305910
4-bromo-N-[2-(morpholin-4-ylcarbonyl)phenyl]benzenesulfonamide
CID 2206016
N-[4-(morpholin-4-ylcarbonyl)phenyl]thiophene-2-sulfonamide
CID 2380830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide (CID 1284913) is 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1.
What is the InChIKey of 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MGTLEDZZLMHJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S2/c16-13-5-6-14(23-13)24(20,21)17-12-4-2-1-3-11(12)15(19)18-7-9-22-10-8-18/h1-6,17H,7-10H2.
What are the key properties of 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 431.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1284913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).