2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide

C14H15BrN2O3S2 — CID 1210804

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O3S2/c1-9(2)16-14(18)10-5-3-4-6-11(10)17-22(19,20)13-8-7-12(15)21-13/h3-9,17H,1-2H3,(H,16,18)
InChIKeyQHDXSUUQVKEEOP-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.45
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide (PubChem CID 1210804) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide
PubChem CID1210804
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O3S2/c1-9(2)16-14(18)10-5-3-4-6-11(10)17-22(19,20)13-8-7-12(15)21-13/h3-9,17H,1-2H3,(H,16,18)
InChIKeyQHDXSUUQVKEEOP-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
3-bromo-N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 25033225
N-[2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 650885
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-N-(2-methoxyethyl)benzamide
CID 2210754
2-amino-N-(thien-2-ylmethyl)benzamide
CID 2797822
5-bromo-N-[2-(4-morpholinylcarbonyl)phenyl]-2-thiophenesulfonamide
CID 1284913
1-[4-[(5-Bromothiophen-2-yl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 4855305
N,N-diethyl-2-[(thiophen-2-ylsulfonyl)amino]benzamide
CID 6461716
5-bromo-N-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-thiophenesulfonamide
CID 1305910
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide
CID 2440834
5-bromo-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-2-carboxamide
CID 4884964
2-(5-Bromo-thiophene-2-sulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 6494047

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide (CID 1210804) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide?
The InChIKey is QHDXSUUQVKEEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-9(2)16-14(18)10-5-3-4-6-11(10)17-22(19,20)13-8-7-12(15)21-13/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide has a molecular weight of 403.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1210804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).